SCHEMBL7931948

SCHEMBL7931948

Cc1ccc2c(c1)C(C)(C)C=CC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.40
THRB P10828 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ACHE P22303 2/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL16242531 0.75 THRB (0.34) TDP1THRBMEN1MAPTHTT
SCHEMBL30530260 0.74 TDP1 (0.42) TDP1THRBMEN1MAPTHTT
SCHEMBL15378096 0.73 CYP3A4 (0.38) TDP1THRBMEN1MAPTHTT
SCHEMBL8611470 0.72 THRB (0.32) TDP1THRBMEN1MAPTHTT
SCHEMBL12910189 0.70 MAPT (0.34) TDP1THRBMEN1MAPTHTT
SCHEMBL27569835 0.70 TDP1 (0.39) TDP1THRBMEN1MAPTHTT
SCHEMBL8734318 0.69 PDK2 (0.37) MEN1MAPTKMT2AKDM4EMAPK1
SCHEMBL24701899 0.68 TDP1 (0.39) TDP1THRBMEN1MAPTHTT
SCHEMBL1615553 0.68 RXRA (0.46) MEN1KMT2ACYP3A4CYP1A2MAPK1
SCHEMBL4711277 0.68 BCHE (0.38)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879223-B1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-11-07 EP disclosed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed
EP-0137010-A4 NAPHTHYL OR TETRAHYDRONAPHTHYL-SUBSTITUTED NAPHTHOIC ACID AND DE RIVATES. STANFORD RES INST INT (US) 1985-08-12 EP disclosed
EP-0137010-A1 NAPHTHYL OR TETRAHYDRONAPHTHYL-SUBSTITUTED NAPHTHOIC ACID AND DE RIVATES SRI INTERNATIONAL (US) 1985-04-17 EP disclosed
WO-1984003505-A1 NAPHTHYL OR TETRAHYDRONAPHTHYL-SUBSTITUTED NAPHTHOIC ACID AND DE RIVATES STANFORD RES INST INT (US) 1984-09-13 WO disclosed