SCHEMBL6938607

SCHEMBL6938607

CC1=C(OCO)c2ccccc2C1C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
HTT P42858 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
SCHEMBL3136524 0.77 CYP1A2 (0.56) TSHRCYP1A2LMNAMAPTKMT2A
SCHEMBL28926885 0.67 CYP1A2 (0.45) TSHRCYP1A2LMNAMAPTTDP1
SCHEMBL29617345 0.67 CYP1A2 (0.45) TSHRCYP1A2LMNAMAPTTDP1
SCHEMBL28005718 0.64 TSHR (0.49) TSHRCYP1A2LMNAPPARGPPARA
SCHEMBL29591768 0.63 CYP2C9 (0.49) TSHRCYP1A2LMNAHTTUSP2
SCHEMBL9091772 0.63 CYP2C9 (0.49) TSHRCYP1A2LMNAHTTUSP2
SCHEMBL19690397 0.63 CYP1A2 (0.59) TSHRCYP1A2LMNAMAPTL3MBTL1
SCHEMBL19465642 0.62 CYP1A2 (0.46) TSHRCYP1A2USP2MAPTTDP1
SCHEMBL6974072 0.62 TSHR (0.46) TSHRCYP1A2L3MBTL1TDP1ALDH1A1
SCHEMBL11732915 0.61 HTR2A (0.50) TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910380-B1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2003-08-13 EP disclosed
US-6403831-B1 5,6-DIFLUORO-2-METHYL-1-(3,4,5-TRIMETHOXY-BENZYLIDENE)-3-(N-BE NZYL)-INDENYL ACETAMIDE; ANTITUMOR AND ANTICARCINOGENIC AGENT USED TO TREAT PRECANCEROUS LESIONS CELL PATHWAYS, INC. 2002-06-11 US disclosed
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed
EP-0910380-A4 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS INC (US) 2000-09-27 EP disclosed
US-6121321-A IN CARRIER CELL PATHWAYS, INC. (US) 2000-09-19 US disclosed
US-6063818-A Substituted benzylidene indenyl formamides, acetamides and propionamides CELL PATHWAYS INC. (US) 2000-05-16 US disclosed
US-5998477-A MIXTURE OF DRUG AND CARRIER CELL PATHWAYS INC. (US) 1999-12-07 US disclosed
US-5965619-A ADMINISTERING AN INDENE DERIVATIVE OF GIVEN FORMULA, SUCH AS 1-(2,4,6-TRIMETHOXYBENZYLIDENE)-5-DIMETHYLAMINO-2-METHYL-3-INDENYL ACETIC ACID, TO TREAT PRECANCEROUS LESIONS SUCH AS COLONIC ADENOMATOUS POLYPS; SIDE EFFECT REDUCTION CELL PATHWAYS INC. (US) 1999-10-12 US disclosed
EP-0910380-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES Cell Pathways, Inc. (US) 1999-04-28 EP disclosed
WO-1997047303-A1 SUBSTITUTED BENZYLIDENE INDENYL FORMAMIDES, ACETAMIDES AND PROPIONAMIDES CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed
WO-1997047295-A1 SUBSTITUTED METHOXY BENZYLIDENE INDENYL-ACETIC AND PROPIONIC ACIDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1997-12-18 WO disclosed