SCHEMBL6027480

SCHEMBL6027480

C/C=C(\CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CYP19A1 P11511 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39

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
SCHEMBL515424 1.00 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL515423 1.00 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL498532 0.83 ATM (0.52) ATMCES2CES1ESR1ESR2
SCHEMBL7803887 0.81 CES2 (0.50) ATMCES2CES1ESR1HDAC1
SCHEMBL16787362 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL17188467 0.81 MAOA (0.57) ATMCES2CES1ESR1ESR2
SCHEMBL17188465 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL22567026 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL6159704 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL7803886 0.81 CES2 (0.50) ATMCES2CES1ESR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327191-A THEN AMINATING RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US claimed
EP-0025385-A1 Preparation of anion-exchange resins by bromination of vinylaromatic polymers, and products obtained RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-03-18 EP claimed
US-6989036-B2 Reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-01-24 US disclosed
US-20040102616-A1 Novel reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
EP-1392777-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2004-03-03 EP disclosed
WO-2002088257-A1 NOVEL REACTIVE DYES AND USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AKTIENGESELLSCHAFT (DE) 2002-11-07 WO disclosed
EP-0885897-B1 Optically active diphosphine ligands BASF AG (DE) 2002-08-21 EP disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0885897-A1 Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
US-4868225-A STERICALLY HINDERED META-PHENYLENEDIAMINE CHAIN EXTENDER FOR POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1989-09-19 US disclosed
US-4866208-A CURING AGENT FOR EPOXY RESINS; EXTENDERS FOR POLYUREA-URETHANE COPOLYMERS THE DOW CHEMICAL COMPANY (US) 1989-09-12 US disclosed
US-4792623-A CURING AGENT, EXTENDER THE DOW CHEMICAL COMPANY (US) 1988-12-20 US disclosed
EP-0082258-A1 Substituted m-phenylenediamines THE DOW CHEMICAL COMPANY (US) 1983-06-29 EP disclosed
EP-0025385-B1 PREPARATION OF ANION-EXCHANGE RESINS BY BROMINATION OF VINYLAROMATIC POLYMERS, AND PRODUCTS OBTAINED RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-05-11 EP disclosed
EP-0025385-A1 Preparation of anion-exchange resins by bromination of vinylaromatic polymers, and products obtained RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-03-18 EP disclosed