SCHEMBL10041228

SCHEMBL10041228

C=Cc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 7/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 1/20 0.47
CTSB P07858 1/20 0.45
GAA P10253 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GFER P55789 1/20 0.44
MCL1 Q07820 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL10040966 0.85 HPGD (0.39) ALDH1A1TP53POLBNPC1RAB9A
SCHEMBL1164171 0.85 TSHR (0.57) ALDH1A1TP53POLBGAAMCL1
SCHEMBL7445345 0.82 ALDH1A1 (0.59) ALDH1A1TP53POLBNPC1RAB9A
SCHEMBL220169 0.82 MCL1 (0.51) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL5112998 0.81 ALDH1A1 (0.57) ALDH1A1TP53POLBNPC1RAB9A
SCHEMBL29641926 0.79 MEN1 (0.49) ALDH1A1TP53MAPTKDM4ELMNA
SCHEMBL30646335 0.78 PTPN1 (0.69) ALDH1A1TDP1KDM4ECTSBMEN1
SCHEMBL28190707 0.78 MCL1 (0.45) ALDH1A1TDP1MCL1PTPN2PTPN1
SCHEMBL1813987 0.78 PTPN1 (0.69) ALDH1A1TDP1KDM4ECTSBMEN1
SCHEMBL7494926 0.78 KDM4E (0.54) ALDH1A1TP53POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646844-B A kind of epoxy curing agent and preparation method thereof 江苏丰彩新型建材有限公司 2018-11-27 CN claimed
CN-105646844-A Epoxy resin curing agent and preparation method thereof 江苏丰彩新型建材有限公司 2016-06-08 CN claimed
CN-105646844-B A kind of epoxy curing agent and preparation method thereof 江苏丰彩新型建材有限公司 2018-11-27 CN disclosed
CN-105646844-A Epoxy resin curing agent and preparation method thereof 江苏丰彩新型建材有限公司 2016-06-08 CN disclosed
WO-2012019496-A1 C-ARYL GLUCOSIDE DERIVATIVES, PREPARATION RPOCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed