SCHEMBL18040563

SCHEMBL18040563

c1ccc2c(c1)CCCN2.c1ccc2c(c1)Cc1ccccc1C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ MAPT P10636 4/20 0.46
▸ DRD2 P14416 3/20 0.44
▸ DRD1 P21728 3/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD5 P21918 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40

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
SCHEMBL29370549 0.94 MAPT (0.50) ALOX15HSD17B10MAPTKDM4ETSHR
SCHEMBL27392334 0.94 MAPT (0.50) ALOX15HSD17B10MAPTKDM4ETSHR
SCHEMBL18172 0.94 MAPT (0.50) ALOX15HSD17B10MAPTKDM4ETSHR
Phosphine SCHEMBL241499 0.91 MAPT (0.48) ALOX15HSD17B10MAPTKDM4ETSHR
Hydrochloric Acid SCHEMBL30018404 0.91 MAPT (0.48) ALOX15HSD17B10MAPTKDM4ETSHR
SCHEMBL8215775 0.91 MAPT (0.48) ALOX15HSD17B10MAPTKDM4ETSHR
Benzene SCHEMBL29053622 0.91 MAPT (0.50) ALOX15HSD17B10MAPTKDM4ETSHR
Cyclopropane SCHEMBL29291393 0.91 MAPT (0.48) ALOX15HSD17B10MAPTKDM4ETSHR
Methane SCHEMBL11211553 0.91 MAPT (0.48) ALOX15HSD17B10MAPTKDM4ETSHR
Hydrochloric Acid SCHEMBL5370795 0.91 MAPT (0.48) ALOX15HSD17B10MAPTKDM4ETSHR

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
EP-2254967-B1 METHOD FOR REDUCING ACIDS IN CRUDE OR REFINED HYDROCARBONS BAKER HUGHES INC (US) 2016-09-07 — — EP claimed
EP-2254967-B1 METHOD FOR REDUCING ACIDS IN CRUDE OR REFINED HYDROCARBONS BAKER HUGHES INC (US) 2016-09-07 — — EP disclosed
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