SCHEMBL9713795

SCHEMBL9713795

CCc1c(OC)c(OC(=O)C(C)C)c2cc(C)c(C)cc2c1OC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ AKR1B1 P15121 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 2/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL11037114 0.91 GAA (0.36) GAAALDH1A1ALOX15ABCB11GABRA1
SCHEMBL9643543 0.86 ABCB11 (0.41) GAAAKR1B1ALDH1A1TAS1R3TAS1R1
SCHEMBL9642598 0.80 GAA (0.37) GAAALDH1A1TAS1R3TAS1R1ALOX15
SCHEMBL9641729 0.79 ABCB11 (0.37) GAAAKR1B1TAS1R3TAS1R1ALOX15
SCHEMBL9641747 0.78 AKR1B1 (0.45) GAAAKR1B1ALDH1A1ALOX15KDM4E
SCHEMBL9713474 0.77 KMT2A (0.42) GAAALDH1A1KMT2AMEN1CYP2C19
SCHEMBL9642806 0.72 AKR1B1 (0.39) GAAAKR1B1ALDH1A1TAS1R3TAS1R1
SCHEMBL20398634 0.72 GAA (0.45) GAAALDH1A1ALOX15KMT2AMEN1
SCHEMBL9642066 0.72 ABCB11 (0.48) ALDH1A1ALOX15ABCB11KMT2AKDM4E
SCHEMBL9643555 0.70 ALDH1A1 (0.44) GAAAKR1B1ALDH1A1ALOX15ABCB11

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 — — US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 — — EP disclosed
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