SCHEMBL7190449

SCHEMBL7190449

O=C(/C=C/c1ccc(C(=O)c2ccccc2)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.48
MAPT P10636 6/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.41
BCHE P06276 2/20 0.41
MAOB P27338 2/20 0.41
CYP1B1 Q16678 2/20 0.41
PLIN1 O60240 1/20 0.41
TNFRSF1A P19438 1/20 0.41
ACHE P22303 1/20 0.41
RECQL P46063 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
CYP3A4 P08684 3/20 0.40
HSPD1 P10809 1/20 0.40

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
SCHEMBL1711201 0.89 LMNA (0.47) MAPTKMT2ARAB9ANFKB1NFKB2
SCHEMBL7882197 0.89 LMNA (0.47) MAPTKMT2ARAB9ANFKB1NFKB2
SCHEMBL14546443 0.81 CA12 (0.54) KMT2ARAB9ANFKB1NFKB2RELA
SCHEMBL9390893 0.81 CA12 (0.54) KMT2ARAB9ANFKB1NFKB2RELA
SCHEMBL9752026 0.80 ESR1 (0.42) MAPTRAB9ANPC1MAOBCYP1B1
SCHEMBL9551421 0.80 MAPT (0.47) MAPTKMT2ARAB9ANPC1LMNA
SCHEMBL9411954 0.80 CYP1A2 (0.50) MAPTKMT2ARAB9ANPC1LMNA
SCHEMBL9411957 0.80 CYP1A2 (0.50) MAPTKMT2ARAB9ANPC1LMNA
SCHEMBL9551400 0.80 HSD11B1 (0.50) MAPTKMT2ARAB9ANPC1LMNA
SCHEMBL6275964 0.79 HDAC3 (0.47) MAPTKMT2ARAB9ANPC1LMNA

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-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP disclosed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP disclosed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP disclosed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US disclosed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO disclosed