SCHEMBL12813501

SCHEMBL12813501

CC1=C(C(=O)c2ccc(C)c(C)c2)C(C)(C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RARB P10826 7/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXRA P19793 5/20 0.40
▸ RXRB P28702 3/20 0.40
▸ RXRG P48443 3/20 0.40
▸ RARG P13631 6/20 0.39
▸ RARA P10276 5/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ CYP1A2 P05177 1/20 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
SCHEMBL12813534 0.87 MEN1 (0.41) RARBNPC1POLBRXRARXRB
SCHEMBL12813462 0.85 ALOX15 (0.44) HTTRARBALDH1A1LMNARXRA
SCHEMBL12813347 0.83 ALDH1A1 (0.47) SMN1; SMN2RARBALDH1A1MAPTLMNA
SCHEMBL12813339 0.83 RARB (0.42) RARBRXRARXRBRXRGRARG
SCHEMBL12813449 0.81 RARB (0.41) SMN1; SMN2RARBALDH1A1MAPTTDP1
SCHEMBL12813381 0.81 RARB (0.41) RARBTDP1RXRARARGRARA
SCHEMBL12813465 0.80 RARB (0.43) RARBALDH1A1RXRARXRBRXRG
SCHEMBL12813736 0.80 TAS1R3 (0.40) HTTSMN1; SMN2RARBALDH1A1MAPT
SCHEMBL8034537 0.79 CYP1A2 (0.49) SMN1; SMN2RARBALDH1A1MAPTTDP1
SCHEMBL12813293 0.78 RARB (0.41) HTTSMN1; SMN2RARBALDH1A1MAPT

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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