SCHEMBL11761812

SCHEMBL11761812

CCCCN(CCC(C)C)C(=O)Sc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.42
▸ F10 P00742 2/20 0.42
▸ F7 P08709 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL11770708 0.83 TP53 (0.49) LMNASMN1; SMN2ALDH1A1EPHX1BCHE
SCHEMBL11762307 0.79 HDAC3 (0.44) LMNASMN1; SMN2ALDH1A1EPHX1CYP3A4
SCHEMBL11762554 0.79 EPHX1 (0.41) F2F10F7SMN1; SMN2ALDH1A1
SCHEMBL11764217 0.76 NPC1 (0.44) LMNASMN1; SMN2ALDH1A1CCKBREPHX1
SCHEMBL31298108 0.75 GAA (0.49) LMNASMN1; SMN2ALDH1A1GABRA1GABRB2
SCHEMBL11764839 0.73 HDAC3 (0.41) ALDH1A1EPHX1PPARGPPARA
SCHEMBL11763367 0.72 EPHX1 (0.42) F2F10F7SMN1; SMN2ALDH1A1
SCHEMBL11341098 0.72 TSHR (0.56) LMNAALDH1A1CCKBRGABRA1GABRB2
SCHEMBL27919753 0.71 HSD17B3 (0.42) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2C19
SCHEMBL11436576 0.70 ANPEP (0.38) LMNAALDH1A1EPHX1

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-4059609-A HERBICIDE, NEMATOCIDE, FUNGICIDE PPG INDUSTRIES, INC. (US) 1977-11-22 — — US disclosed
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