SCHEMBL15085012

SCHEMBL15085012

COc1c2ccccc2c(OC)c2cc(COC(=O)NC3CCCCC3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 1/20 0.45
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL15085011 0.99 EPHX1 (0.58) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL15082569 0.81 ENPP2 (0.43) MEN1KMT2AGAASMN1; SMN2HTT
SCHEMBL15082566 0.80 TOP2A (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22104103 0.78 EPHX2 (0.68) EPHX1ALDH1A1NPC1RAB9ASMN1; SMN2
Methyl Alcohol SCHEMBL6780968 0.78 EPHX1 (0.80) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL1424064 0.77 EPHX1 (0.84) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL8393719 0.77 EPHX1 (0.84) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL15084996 0.77 MGLL (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Dimethylamine SCHEMBL8326428 0.76 EPHX1 (0.78) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL9656723 0.76 ALDH1A1 (0.60) EPHX1ALDH1A1RAB9A

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-2615633-A1 COMPOSITION FOR WATER-REPELLENT TREATMENT OF SURFACE, AND METHOD FOR WATER-REPELLENT TREATMENT OF SURFACE OF SEMICONDUCTOR SUBSTRATE USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-07-17 EP disclosed
US-20130171835-A1 COMPOSITION FOR WATER-REPELLENT TREATMENT OF SURFACE, AND METHOD FOR WATER-REPELLENT TREATMENT OF SURFACE OF SEMICONDUCTOR SUBSTRATE USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-07-04 US disclosed