SCHEMBL9151344

SCHEMBL9151344

CC[C@H](C)COc1ccc(C(=O)O)cc1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.47
TSHR P16473 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
RXRA P19793 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
SCHEMBL8973461 1.00 RAB9A (0.60) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL9149303 0.89 MAPT (0.51) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL8086405 0.87 TSHR (0.56) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL8086406 0.87 TSHR (0.56) RAB9ALMNAMAPK1HTTMAPT
Hydrochloric Acid SCHEMBL8084681 0.85 TSHR (0.55) RAB9ALMNAMAPK1HTTMAPT
Hydrochloric Acid SCHEMBL8084683 0.85 TSHR (0.55) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL2715493 0.82 LMNA (0.63) RAB9ALMNAMAPK1HTTMRGPRX4
SCHEMBL2562449 0.82 LMNA (0.67) RAB9ALMNAMAPK1HTTMRGPRX4
SCHEMBL9150208 0.81 KIF11 (0.47) RAB9ALMNAMAPK1HTTMAPT
SCHEMBL7696613 0.80 ALDH1A1 (0.64) MAPTALDH1A1

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
US-5399290-A Liquid crystals with (polysila) alkyl wing groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1995-03-21 US disclosed