SCHEMBL11602103

SCHEMBL11602103

CCCCCCCc1c(Cc2ccccc2)c(O)c(C2=C(C(C)(C)C(N)=O)CCC(C)C2)c(O)c1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ GCGR P47871 1/20 0.30

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
SCHEMBL11601047 0.90 PPARA (0.38) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11602984 0.89 CNR1 (0.34) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11601819 0.82 CNR1 (0.37) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11602059 0.81 CNR1 (0.38) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11602110 0.79 CNR2 (0.38) CNR1CNR2PPARGPPARA
SCHEMBL11602967 0.78 CNR1 (0.37) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11599818 0.78 CNR1 (0.37) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11602363 0.76 CNR1 (0.36) KDM4EHTTSMN1; SMN2CNR1CNR2
SCHEMBL11603781 0.75 BCHE (0.30) PPARG
SCHEMBL11601473 0.74 CNR1 (0.33) KDM4EHTTSMN1; SMN2CNR1CNR2

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-4092344-A Cyclohexenyl resorcinol derivatives ELI LILLY AND COMPANY (US) 1978-05-30 — — US disclosed
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