SCHEMBL9482829

SCHEMBL9482829

CCCCOCCOCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)OCC(C)CC)cc3F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 2/20 0.43
FAAH O00519 4/20 0.43
KMT2A Q03164 2/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
TSHR P16473 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL9482832 1.00 RARB (0.50) RARBRARAMAPTFAAHKMT2A
SCHEMBL9626761 0.93 RARB (0.48) RARBMAPTFAAHTSHR
SCHEMBL9627745 0.93 RARB (0.48) RARBMAPTFAAHTSHR
SCHEMBL10398275 0.89 NPC1 (0.47) MAPTFAAHTSHR
SCHEMBL10397655 0.89 NPC1 (0.47) MAPTFAAHTSHR
SCHEMBL9627196 0.89 NPC1 (0.47) MAPTFAAHTSHR
SCHEMBL9628548 0.89 NPC1 (0.47) MAPTFAAHTSHR
SCHEMBL9482808 0.87 RARB (0.59) RARBRARAMAPTKMT2AADRB2
SCHEMBL9482816 0.87 RARB (0.59) RARBRARAMAPTKMT2AADRB2
SCHEMBL10397697 0.87 THRA (0.48) RARBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258578-B1 LIQUID CRYSTAL COMPOUNDS HAVING ETHER TAIL MOIETY POLAROID CORPORATION (US) 1993-01-07 EP disclosed
US-5132041-A Liquid crystal compounds having ether tail moiety POLAROID CORPORATION (US) 1992-07-21 US disclosed
US-4857227-A Liquid crystal mixtures having widened smectic temperature range POLAROID CORPORATION PATENT DEPARTMENT (US) 1989-08-15 US disclosed
EP-0258578-A2 Liquid crystal compounds having ether tail moiety POLAROID CORPORATION (US) 1988-03-09 EP disclosed