SCHEMBL22211307

SCHEMBL22211307

COC(=O)C1(Cc2ccc(CCl)cc2)CCCC1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.42
POLB P06746 1/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EPHX2 P34913 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4808147 0.86 ADAM17 (0.47) ADAM17TACR1TACR3SMN1; SMN2
SCHEMBL4805340 0.76 POLB (0.44) ADAM17POLBNPC1RAB9ALMNA
SCHEMBL4807305 0.74 KDM4E (0.51) ADAM17POLBNPC1RAB9ASMN1; SMN2
SCHEMBL18494342 0.74 MAPT (0.41) ADAM17POLBNPC1RAB9ASMN1; SMN2
SCHEMBL4811587 0.72 ADAM17 (0.40) ADAM17POLBNPC1RAB9ASMN1; SMN2
SCHEMBL4817042 0.70 ADAM17 (0.45) ADAM17TACR1TACR3SMN1; SMN2
SCHEMBL4811198 0.70 TDP1 (0.41) ADAM17POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6060766 0.70 HPGD (0.38) SMN1; SMN2EPHX2LMNA
SCHEMBL22211342 0.69 TACR1 (0.44) POLBTACR1TACR3NPC1RAB9A
SCHEMBL9588887 0.68 ADAM17 (0.40) ADAM17POLBTACR1TACR3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680227-A1 METHOD FOR PREPARING SUBSTITUTED PHENYLACETIC ACID DERIVATIVE Jiangsu Ruike Medical Science And Technology Co., Ltd. (CN) 2020-07-15 EP disclosed