SCHEMBL6028023

SCHEMBL6028023

[CH2]CC[C](C)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GMNN O75496 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CMKLR1 Q99788 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL4820532 0.85 MEN1 (0.49) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL4948336 0.79 GPR52 (0.50) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL9800434 0.79 CYP2C19 (0.45) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL4818412 0.79 NR4A1 (0.50) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL5843317 0.78 ALDH1A1 (0.63) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL5079813 0.76 GPR52 (0.48) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL758421 0.74 KDM4E (0.50) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL7617976 0.74 TDP1 (0.55) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL29563474 0.74 PTK2B (0.55) HPGDALDH1A1MEN1KMT2AMAPT
SCHEMBL273123 0.74 PTK2B (0.55) HPGDALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US 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