SCHEMBL7329372

SCHEMBL7329372

CCC(=O)Oc1ccc(C(CC)=C(CC)c2ccc(O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.86
HIF1A Q16665 3/20 0.86
KMT2A Q03164 2/20 0.86
SMN1; SMN2 Q16637 2/20 0.86
RECQL P46063 1/20 0.86
ESR2 Q92731 5/20 0.62
NR1I2 O75469 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
NR3C1 P04150 1/20 0.62
TP53 P04637 1/20 0.62
FYN P06241 1/20 0.62
PGR P06401 1/20 0.62
CHRM2 P08172 1/20 0.62
ADRB1 P08588 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7329368 1.00 ESR1 (0.86) ESR1HIF1AKMT2ASMN1; SMN2RECQL
Diethylstilbestrol Dipropionate SCHEMBL151730 0.93 KMT2A (1.00) ESR1HIF1AKMT2ASMN1; SMN2RECQL
Diethylstilbestrol Dipropionate SCHEMBL2440005 0.93 KMT2A (1.00) ESR1HIF1AKMT2ASMN1; SMN2RECQL
SCHEMBL822180 0.90 ESR1 (0.70) ESR1HIF1AKMT2ASMN1; SMN2RECQL
Diethylstilbestrol Dipropionate SCHEMBL11315311 0.89 KMT2A (0.93) ESR1HIF1AKMT2ASMN1; SMN2RECQL
SCHEMBL361899 0.89 KMT2A (0.66) ESR1HIF1AKMT2ASMN1; SMN2RECQL
SCHEMBL27661253 0.88 ELANE (0.75) ESR1HIF1AKMT2ASMN1; SMN2RECQL
Methane SCHEMBL10713166 0.87 KMT2A (0.63) ESR1HIF1AKMT2ASMN1; SMN2RECQL
SCHEMBL31091092 0.87 KMT2A (0.63) ESR1HIF1AKMT2ASMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL27517467 0.87 KMT2A (0.63) ESR1HIF1AKMT2ASMN1; SMN2RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111012734-B Drug-loaded reticular in-situ phase-change gel sustained-release system and preparation method thereof 四川大学 2021-08-20 CN claimed
CN-112996850-B Cellulose composition and tablet 旭化成株式会社 2022-06-03 CN disclosed
CN-111012734-B Drug-loaded reticular in-situ phase-change gel sustained-release system and preparation method thereof 四川大学 2021-08-20 CN disclosed
CN-112996850-A Cellulose composition and tablet 旭化成株式会社 2021-06-18 CN disclosed
US-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 US disclosed
US-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US disclosed
US-5756497-A BENZOXAZINE DERAVITIVE MERCK & CO., INC. (US) 1998-05-26 US disclosed
US-5756504-A TREATMENT OF DYSMENORRHEA, PREVENTION OF PREMATURE LABOR MERCK & CO., INC. (US) 1998-05-26 US disclosed
EP-0805681-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-06 EP disclosed
US-5726172-A BENZOXAZINONE DERIVATIVES; TREATMENT OF PRETERM LABOR, DYSMENORRHEA MERCK & CO., INC. (US) 1998-03-10 US disclosed
WO-1997025992-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-07-24 WO disclosed
EP-0751773-A4 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0729472-A4 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0760669-A1 ANTIASTHMATIC PREPARATION Hristov, Ivan Dimitrov (BG) 1997-03-12 EP disclosed
EP-0751773-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1997-01-08 EP disclosed
WO-1996031222-A1 ANTIASTHMATIC PREPARATION HRISTOV IVAN DIMITROV (BG) 1996-10-10 WO disclosed
EP-0729472-A1 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO. INC. (US) 1996-09-04 EP disclosed
WO-1996022775-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-01 WO disclosed
WO-1995025443-A1 TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-28 WO disclosed
WO-1995014025-A1 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1995-05-26 WO disclosed