SCHEMBL3136524

SCHEMBL3136524

CC(C(=O)O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ATM Q13315 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
GPR3 P46089 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL9091772 0.79 CYP2C9 (0.49) CYP1A2TSHRKMT2AMEN1ATM
SCHEMBL29591768 0.79 CYP2C9 (0.49) CYP1A2TSHRKMT2AMEN1ATM
SCHEMBL19690397 0.79 CYP1A2 (0.59) CYP1A2TSHRPOLBKMT2AHDAC3
SCHEMBL21225274 0.79 POLB (0.42) CYP1A2TSHRPOLBKMT2AMEN1
SCHEMBL18742337 0.79 POLB (0.42) CYP1A2TSHRPOLBKMT2AMEN1
SCHEMBL28536843 0.79 POLB (0.42) CYP1A2TSHRPOLBKMT2AMEN1
SCHEMBL28926885 0.77 CYP1A2 (0.45) CYP1A2TSHRPOLBKMT2AMEN1
SCHEMBL29617345 0.77 CYP1A2 (0.45) CYP1A2TSHRPOLBKMT2AMEN1
SCHEMBL6938607 0.77 TSHR (0.42) CYP1A2TSHRPOLBKMT2AMEN1
SCHEMBL7681625 0.76 CYP1A2 (0.56) CYP1A2TSHRPOLBHDAC3HDAC4

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-2164324-A1 THERAPEUTIC COMPOUNDS University Of Florida Research Foundation (US) 2010-03-24 EP disclosed
WO-2009061436-A1 COMPOUND FOR ACTIVATING 5-HT2C RECEPTORS IN COMBINATION WITH AN AMPHETAMINE COMPOUND UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-05-14 WO disclosed
WO-2008156707-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2008-12-24 WO disclosed
US-6359113-B1 USING FUSED RING SYSTEM CONTAINING AT LEAST 4 AROMATIC RINGS, AND GROUP CONTAINING AT LEAST ONE CARBON ATOM WHICH IS CAPABLE OF BONDING TO A GROUP TO BE PROTECTED; SYNTHESIS, SEPARATION RHODIA CHIMIE (FR) 2002-03-19 US disclosed
EP-0565607-B1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHODIA CHIMIE SA (FR) 1999-04-21 EP disclosed
US-5869605-A Protected compound comprising a protective group removably attached to a compound to be protected RHONE-POULENCCHIMIE (FR) 1999-02-09 US disclosed
US-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 US disclosed
US-5472973-A Non-steroidal antiinflammatory agents SCIOS NOVA INC. (US) 1995-12-05 US disclosed
EP-0565607-A1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHONE-POULENC CHIMIE (FR) 1993-10-20 EP disclosed
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO disclosed
WO-1992012167-A1 PROTECTION GROUP, COMPOUD PROTECTED BY THIS GROUP AND DEVICE FOR GRAFTING THE PROTECTION GROUP ONTO THE COMPOUND BEING PROTECTED RHONE-POULENC CHIMIE (FR) 1992-07-23 WO disclosed