SCHEMBL16959385

SCHEMBL16959385

C=C[C](C)c1cc(OCCCC)cc(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ RXRA P19793 2/20 0.35
▸ RARG P13631 1/20 0.35
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 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
SCHEMBL16954833 0.87 ACACB (0.36) ALDH1A1HTTKDM4EPPARGRXRA
SCHEMBL16952971 0.84 PLA2G2A (0.44) PLA2G2AALDH1A1HTTKDM4EPPARG
SCHEMBL16960075 0.83 PLA2G2A (0.42) PLA2G2AALDH1A1KDM4EPPARGPTGES
SCHEMBL16952802 0.83 LMNA (0.33) ALDH1A1HTTKDM4ERARGRARA
SCHEMBL16960574 0.82 PLA2G2A (0.46) PLA2G2AALDH1A1KDM4E
SCHEMBL16951121 0.81 PLA2G2A (0.42) PLA2G2A
SCHEMBL16952189 0.81 PLA2G2A (0.42) PLA2G2A
SCHEMBL16956747 0.81 AHR (0.50) PLA2G2AHTTPPARGPPARA
SCHEMBL16958217 0.81 PLA2G2A (0.38) PLA2G2AKDM4EPPARGPTGESALOX5
SCHEMBL16953340 0.80 PLA2G2A (0.41) PLA2G2A

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
Send feedback