SCHEMBL28087686

SCHEMBL28087686

Oc1ccc(-c2ccccc2)cc1.[Nd]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.94
BCL2L1 Q07817 1/20 0.94
ESR1 P03372 6/20 0.69
ESR2 Q92731 5/20 0.69
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
HSD17B1 P14061 1/20 0.59
HSD17B2 P37059 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
GLA P06280 1/20 0.59
CA3 P07451 1/20 0.59
CA4 P22748 1/20 0.59
CA9 Q16790 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA14 Q9ULX7 1/20 0.59
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58

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
Biphenyl SCHEMBL9955402 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL6739972 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL4236248 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL11645258 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL7865208 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
Benzene SCHEMBL28859268 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL7929157 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL38273 0.97 MMP3 (1.00) MMP3BCL2L1ESR1ESR2MEN1
SCHEMBL4871623 0.94 MMP3 (0.94) MMP3BCL2L1ESR1ESR2MEN1
Methane SCHEMBL457857 0.94 MMP3 (0.94) MMP3BCL2L1ESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209268-B Heterocyclic imine functionalized polymers 株式会社普利司通 2018-05-04 CN disclosed
CN-107567464-A For the method for the polydiene and polydiene copolymer that produce cold flow properties reduction 株式会社普利司通 2018-01-09 CN disclosed
CN-107428867-A Aged lanthanide-based catalyst systems and their use in the preparation of cis-1, 4-polydienes 株式会社普利司通 2017-12-01 CN disclosed
CN-107428871-A Cis-1, 4-polydienes having improved cold flow resistance 株式会社普利司通 2017-12-01 CN disclosed
CN-104023996-B For the method for the polydiene and polydiene copolymer that prepare the cold flow with reduction 株式会社普利司通 2017-10-24 CN disclosed
CN-107207654-A The polymerisation in bulk of polyisoprene with preform catalyst 株式会社普利司通 2017-09-26 CN disclosed
CN-105814087-B Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2017-07-11 CN disclosed
CN-104093751-B The method for preparing the polydiene and polydiene copolymer with the cold flow for reducing 株式会社普利司通 2017-05-31 CN disclosed
CN-104220466-B For the method preparing polydiene 株式会社普利司通 2016-09-21 CN disclosed