SCHEMBL10644653

SCHEMBL10644653

CCCOc1c(C)c(O)c2ccccc2c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREB1 P16220 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TLR4 O00206 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
PTPRC P08575 2/20 0.35
PTPN2 P17706 2/20 0.35
PTPN1 P18031 2/20 0.35
PTPRB P23467 2/20 0.35
PTPN11 Q06124 2/20 0.35

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
SCHEMBL9656612 0.91 LTA4H (0.41) LTA4HTLR4ALDH1A1LMNAMAPT
SCHEMBL9658095 0.90 NR5A1 (0.42) LTA4HTLR4ALDH1A1LMNAMAPT
SCHEMBL9657016 0.89 LTA4H (0.41) CREB1LTA4HALDH1A1LMNAHTT
SCHEMBL9656987 0.88 NR5A1 (0.45) LTA4HTLR4ALDH1A1LMNAHTT
SCHEMBL9658493 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHTTMAPTATM
SCHEMBL9628603 0.85 HTT (0.48) PTGS2ALDH1A1HTTMAPTCNR1
SCHEMBL9628487 0.83 HTT (0.49) PTGS2ALDH1A1HTTMAPTCNR1
SCHEMBL9629300 0.81 KDM4E (0.38) CREB1ALDH1A1HTTMAPTCNR1
SCHEMBL9629465 0.81 MAPT (0.37) CREB1ALDH1A1HTTMAPTCNR1
SCHEMBL9657099 0.81 KDM4E (0.39) CREB1LTA4HALDH1A1MAPTCNR1

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
US-4786652-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1988-11-22 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed