SCHEMBL9697709

SCHEMBL9697709

CCCCOCCOCCOc1ccc(-c2ccc(C(=O)Oc3ccc([C@@H](C)OC(=O)[C@H](C)Cl)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.54
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KMT2A Q03164 2/20 0.44
RARA P10276 1/20 0.43
TSHR P16473 2/20 0.43
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9697416 1.00 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9697421 1.00 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9697716 1.00 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9697424 1.00 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9697783 0.90 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9697791 0.90 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9697793 0.90 RARB (0.54) RARBPRSS1ACRLMNANPC1
SCHEMBL9696305 0.88 RARB (0.56) RARBPRSS1ACRLMNANPC1
SCHEMBL9696318 0.88 RARB (0.56) RARBPRSS1ACRLMNANPC1
SCHEMBL9697449 0.88 RARB (0.56) RARBPRSS1ACRLMNANPC1

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
US-5141669-A Liquid crystal compounds having chiral ester head groups POLAROID CORPORATION (US) 1992-08-25 US disclosed