SCHEMBL12813449

SCHEMBL12813449

CC1=C(C(=O)c2ccc(F)cc2)C(C)(C)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.41
▸ RARG P13631 6/20 0.40
▸ RARA P10276 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXRA P19793 4/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL12813347 0.88 ALDH1A1 (0.47) RARBRARGRARANPC1RAB9A
SCHEMBL12813381 0.85 RARB (0.41) RARBRARGRARAHPGDMAPK1
SCHEMBL12813465 0.84 RARB (0.43) RARBRARGRARAALDH1A1RXRA
SCHEMBL12813472 0.84 SRD5A2 (0.44) RARBRARGRARAHPGDTSHR
SCHEMBL12813339 0.84 RARB (0.42) RARBRARGRARARXRACYP1A2
SCHEMBL12813417 0.83 CES2 (0.42) RARBNPC1RAB9AALDH1A1MAPT
SCHEMBL12813293 0.82 RARB (0.41) RARBRARGRARANPC1RAB9A
SCHEMBL16499394 0.81 RARB (0.47) RARBRARGRARANPC1RAB9A
SCHEMBL12813736 0.81 TAS1R3 (0.40) RARBRARGRARANPC1RAB9A
SCHEMBL12813157 0.81 NPC1 (0.40) RARBNPC1RAB9A

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
WO-2012134971-A2 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2012-10-04 — — WO disclosed
WO-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 — — WO disclosed
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