SCHEMBL16953600

SCHEMBL16953600

C=[C]c1cccc(OCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.44
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LTA4H P09960 3/20 0.42
▸ KAT6A Q92794 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16953412 0.91 LTA4H (0.53) KMT2ATSHRGPBAR1CYSLTR1LTA4H
SCHEMBL694324 0.85 TP53 (0.53) TSHRKDM4ELTA4HMAPTHPGD
SCHEMBL16957855 0.84 MAPK1 (0.43) KMT2AKDM4ENPC1MAPK1RAB9A
SCHEMBL16961798 0.82 ALDH1A1 (0.57) KMT2ATSHR
SCHEMBL16956896 0.82 TBXAS1 (0.38) MAPK1SMN1; SMN2
SCHEMBL910595 0.82 KMT2A (0.54) KMT2ATSHRGPBAR1CYSLTR1KDM4E
SCHEMBL2536496 0.82 KMT2A (0.54) KMT2ATSHR
1,3-Dipropoxybenzene SCHEMBL73716 0.80 KMT2A (0.63) KMT2ATSHRGPBAR1CYSLTR1KDM4E
SCHEMBL16961243 0.77 TRIM24 (0.43) KMT2ATSHRKAT6ANR1H4MAPT
SCHEMBL10796629 0.77 KMT2A (0.61) KMT2ATSHRGPBAR1CYSLTR1LTA4H

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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