SCHEMBL2847324

SCHEMBL2847324

Nc1cccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.38
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TMEM97 Q5BJF2 3/20 0.35
HTR2B P41595 2/20 0.35
TNF P01375 1/20 0.35
IL1B P01584 1/20 0.35
TBXA2R P21731 1/20 0.35
IKZF1 Q13422 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ADORA2A P29274 2/20 0.34
PABPC1 P11940 3/20 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
SCHEMBL3277103 0.87 ALDH1A1 (0.45) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL520084 0.83 BCHE (0.37) PTPRCGAAMAPTROCK2ALDH1A1
SCHEMBL645784 0.81 DDB1 (0.38) GAADDB1CRBNSIGMAR1ROCK2
SCHEMBL14905782 0.80 GAA (0.43) KDM4EGAAMAPTROCK2ALDH1A1
SCHEMBL17110420 0.78 HDAC1 (0.34) HDAC1HDAC2
SCHEMBL16104888 0.78 DDB1 (0.35) KDM4EMAPTDDB1CRBNROCK2
SCHEMBL5608644 0.75 HTR7 (0.37) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL18356734 0.75 PDK2 (0.35) ROCK2
SCHEMBL14736169 0.75 MAPT (0.41) KDM4EGAAMAPTDDB1CRBN
SCHEMBL8039397 0.75 HNF4A (0.38) GAAROCK2ALDH1A1HDAC2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed