SCHEMBL8970835

SCHEMBL8970835

CCC[C@H](C)OC(=O)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
ALDH1A1 P00352 2/20 0.56
ESR1 P03372 4/20 0.54
TSHR P16473 3/20 0.54
SLC6A2 P23975 2/20 0.54
CHRM1 P11229 1/20 0.54
KDR P35968 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ESR2 Q92731 2/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H2 P55055 1/20 0.51

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
SCHEMBL9441402 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8198278 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9151740 0.95 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8971377 0.95 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL828610 0.93 TSHR (0.51) CA12CA1CA2CA7CA9
SCHEMBL8202642 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8946967 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL6390359 0.89 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4651346 0.89 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL9058141 0.88 PDCD1 (0.54) CA12CA1CA2CA7CA9

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
EP-0493601-B1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN CO (JP) 1996-03-20 EP disclosed
US-5425897-A Electrooptics IDEMITSU KOSAN CO., LTD. (JP) 1995-06-20 US disclosed
US-5380915-A Copolymers of polydimethylsiloxane with diene ethers IDEMITSU KOSAN CO., LTD. (JP) 1995-01-10 US disclosed
US-5281685-A Polyether pendant groups, polysiloxane repeating units IDEMITSU KOSAN CO., LTD. (JP) 1994-01-25 US disclosed
EP-0493601-A1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-08 EP disclosed