SCHEMBL9626474

SCHEMBL9626474

C=C(c1ccc(O)cc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
HSD17B10 Q99714 4/20 0.52
HTT P42858 2/20 0.52
GFER P55789 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
ESR1 P03372 6/20 0.44
ESR2 Q92731 4/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA7 P43166 3/20 0.43
LMNA P02545 5/20 0.42
CYP3A4 P08684 4/20 0.42
ALOX15 P16050 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL8461563 0.89 MAPT (0.35) MAPTHSD17B10HTTGFERGPR55
SCHEMBL12981369 0.80 ALDH1A1 (0.44) HTTLMNACYP3A4MEN1KMT2A
SCHEMBL2017897 0.78 CES2 (0.42) CA1CA2KMT2AALDH1A1HPGD
SCHEMBL1965137 0.78 TPMT (0.41) CA1CA2CYP1A2CYP2D6SLC6A2
SCHEMBL2012718 0.78 CES2 (0.42) MAPTHTTCA1CA2LMNA
SCHEMBL693987 0.77 SMN1; SMN2 (0.50) MAPTHSD17B10HTTLMNACYP3A4
SCHEMBL14530150 0.76 TSHR (0.55) HSD17B10CA12CA1CA2CA9
SCHEMBL19675411 0.76 MEN1 (0.55) MAPTHSD17B10HTTGFERCYP3A4
SCHEMBL28230027 0.75 MAPT (0.52) MAPTHSD17B10HTTGFERGPR55
SCHEMBL24905722 0.75

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114636-A1 COMPOSITIONS FOR TREATMENT OF ALZHEIMER'S DISEASE MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2010-10-07 WO disclosed
US-7482112-B2 Pattern forming method FUJIFILM CORPORATION (JP) 2009-01-27 US disclosed
US-20070172768-A1 Pattern forming method FUJIFILM CORPORATION (JP) 2007-07-26 US disclosed
EP-0202458-B1 CROSS-LINKED POLYALKENYL PHENOL BASED PHOTORESIST COMPOSITIONS International Business Machines Corporation (US) 1992-03-25 EP disclosed
EP-0202458-A2 Cross-linked polyalkenyl phenol based photoresist compositions International Business Machines Corporation (US) 1986-11-26 EP disclosed
US-4221700-A POLY(ALKYLATED ALKENYLPHENOL); POLYESTERS OF ALKYLTHIOALKANOIC ACIDS OR ORGANIC PHOSPHITE MARUZEN OIL CO., LTD. (JP) 1980-09-09 US disclosed