SCHEMBL28342441

SCHEMBL28342441

NC(=O)OCCc1ccc2c(c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RXRB P28702 5/20 0.46
▸ RXRA P19793 4/20 0.44
▸ RXRG P48443 4/20 0.44
▸ PPARG P37231 3/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ NAAA Q02083 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL7984662 0.84 RXRB (0.46) NPC1RAB9AALDH1A1SMN1; SMN2RXRB
SCHEMBL28342439 0.83 LMNA (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL28342373 0.80 CHRM1 (0.44) —
SCHEMBL28339934 0.80 CHRM5 (0.48) NPC1RAB9A
SCHEMBL20809634 0.80 PPARG (0.46) NPC1RAB9AALDH1A1SMN1; SMN2RXRB
SCHEMBL6348602 0.79 RXRB (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL28342389 0.78 CHRM5 (0.53) NPC1RAB9AMAPT
SCHEMBL28342443 0.78 CHRM1 (0.50) NPC1RAB9ALMNA
SCHEMBL28813907 0.78 RXRB (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3811959 0.77 ALOX15 (0.55) NPC1RAB9AALDH1A1RXRBRXRA

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
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 — — CN disclosed
Send feedback