SCHEMBL28006999

SCHEMBL28006999

CCC=CCCc1ccc(O)cc1.Cc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.45
▸ GPR52 Q9Y2T5 6/20 0.44
▸ TPMT P51580 1/20 0.42
▸ ALOX12 P18054 1/20 0.38
▸ RARB P10826 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL28006977 0.89 GPR52 (0.56) GPR52TPMT
SCHEMBL28006982 0.82 GPR52 (0.40) GPR52RARBMAPTESR1ESR2
SCHEMBL28006631 0.81 HCAR1 (0.45) HCAR1GPR52TPMTRARBCA12
SCHEMBL2564117 0.81 ESR1 (0.52) ALOX12ESR1ESR2CA2ALDH1A1
SCHEMBL2564120 0.81 ESR1 (0.52) ALOX12ESR1ESR2CA2ALDH1A1
SCHEMBL28006947 0.77 IAPP (0.52) HCAR1TPMTRARBMAPTFFAR1
SCHEMBL28006626 0.75 DPP4 (0.46) HCAR1TPMTRARBMAPTESR1
SCHEMBL9960225 0.73 FOLH1 (0.51) GPR52
SCHEMBL28006954 0.72 PDE5A (0.45) HCAR1TPMTMAPTESR1ESR2
SCHEMBL692019 0.72 CYP1A2 (0.46) GPR52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107208120-A Rapid pretreatment 斯威特沃特能源公司 2017-09-26 — — CN disclosed
CN-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
Send feedback