SCHEMBL17160047

SCHEMBL17160047

CC=Cc1ccc(CC)cc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ BACE1 P56817 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
SCHEMBL24202322 0.84 EGFR (0.39) TRPA1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL18242160 0.83 SMN1; SMN2 (0.42) TRPA1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL5250728 0.81 TRPA1 (0.41) TRPA1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL14472177 0.80 PRKCI (0.39) ALDH1A1SMN1; SMN2NPC1MAPTMAPK1
SCHEMBL5085882 0.79 TRPA1 (0.40) TRPA1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL18243684 0.79 TRPA1 (0.40) TRPA1CYP1A2CYP2A6ALDH1A1SMN1; SMN2
SCHEMBL13678721 0.78 MAPT (0.37) SMN1; SMN2RAB9AMAPTLMNAKDM4E
SCHEMBL3685251 0.78 EGFR (0.53) ALDH1A1SMN1; SMN2GAAKDM4EPTGS1
SCHEMBL3685249 0.78 EGFR (0.53) ALDH1A1SMN1; SMN2GAAKDM4EPTGS1
SCHEMBL29600683 0.78 TRPA1 (0.39) TRPA1CYP1A2CYP2A6ALDH1A1SMN1; SMN2

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-9364825-B2 Block copolymers, their manufacture and their use KRATON POLYMERS U.S. LLC (US) 2016-06-14 — — US disclosed
US-20150290637-A1 BLOCK COPOLYMERS, THEIR MANUFACTURE AND THEIR USE KRATON POLYMERS U.S. LLC (US) 2015-10-15 — — US disclosed
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