SCHEMBL9644155

SCHEMBL9644155

CCC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OCc2cc(C)cc(C)c2)c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TP53 P04637 1/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP10 Q53GL7 1/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 2/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NR4A2 P43354 1/20 0.34

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
SCHEMBL9642718 0.87 ABCB11 (0.48) ABCB11TP53TSHRSMN1; SMN2CYP3A4
SCHEMBL9642907 0.83 ABCB11 (0.53) ABCB11TSHRSMN1; SMN2KMT2AGAA
SCHEMBL9643182 0.81 ABCB11 (0.54) ABCB11SMN1; SMN2GAARXRARXRB
SCHEMBL9641799 0.81 ABCB11 (0.41) ABCB11TSHRSMN1; SMN2CYP3A4KMT2A
SCHEMBL9643190 0.81 ABCB11 (0.41) ABCB11TSHRSMN1; SMN2CYP3A4KMT2A
SCHEMBL9643876 0.79 ABCB11 (0.47) ABCB11TP53TSHRSMN1; SMN2CYP3A4
SCHEMBL9641843 0.79 ABCB11 (0.41) ABCB11SMN1; SMN2KMT2AESR1MEN1
SCHEMBL9644053 0.79 ABCB11 (0.41) ABCB11SMN1; SMN2KMT2AESR1MEN1
SCHEMBL9642731 0.79 ABCB11 (0.42) ABCB11TP53TSHRKMT2AGAA
SCHEMBL9642172 0.78 ABCB11 (0.50) ABCB11TP53PARP10KMT2AGAA

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-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed