SCHEMBL16952971

SCHEMBL16952971

CCCCOc1cc([C](C)C)cc(C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ NR5A1 Q13285 1/20 0.38

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
SCHEMBL16954575 0.85 PTGS2 (0.39) ALDH1A1HTTKDM4E
SCHEMBL16959385 0.84 PLA2G2A (0.39) PLA2G2AALDH1A1HTTKDM4EPTGES
SCHEMBL16955794 0.81 PLA2G2A (0.54) PLA2G2ALTA4HNR5A1
SCHEMBL16954800 0.81 PLA2G2A (0.47) PLA2G2AALDH1A1KDM4EPTGESALOX5
SCHEMBL16953332 0.80 MAPT (0.36) ALDH1A1HTTKDM4E
SCHEMBL16959274 0.80 PLA2G2A (0.53) PLA2G2AALDH1A1KDM4ELTA4HNR5A1
SCHEMBL16954761 0.78 PLA2G2A (0.42) PLA2G2AKDM4EPTGESALOX5PPARG
SCHEMBL16954279 0.78 HTT (0.64) ALDH1A1HTTKDM4EPTGESALOX5
SCHEMBL16955492 0.78 PLA2G2A (0.47) PLA2G2ALTA4HNR5A1
SCHEMBL16953583 0.78 PLA2G2A (0.47) PLA2G2ALTA4HNR5A1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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