SCHEMBL8522152

SCHEMBL8522152

Oc1ccc2c(c1)C(O)CC(Cc1cccc(C(F)(F)F)c1)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
GPR52 Q9Y2T5 2/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
MPO P05164 1/20 0.38
ACP3 P15309 1/20 0.36
STS P08842 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8465614 0.76 LOXL2 (0.43)
SCHEMBL4363849 0.71 ESR2 (0.44) ESR1ESR2
SCHEMBL30450901 0.70 TAAR1 (0.50) IDO1ACP3TAAR1MEN1KMT2A
SCHEMBL19584951 0.69 DRD2 (0.40)
SCHEMBL19584919 0.69 DRD2 (0.40)
SCHEMBL4364935 0.68 ESR1 (0.41) ESR1ESR2
SCHEMBL38655290 0.67 CHRNB2 (0.36) GPR52MEN1KMT2A
SCHEMBL19603530 0.66 DPP4 (0.32)
SCHEMBL19584871 0.66 DPP4 (0.32)
SCHEMBL19603532 0.66 DPP4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed