SCHEMBL9626596

SCHEMBL9626596

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ESR1 P03372 7/20 0.41
ESR2 Q92731 4/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
ADORA3 P0DMS8 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
ALOX15 P16050 3/20 0.41
CYP2C19 P33261 3/20 0.41
SLC6A2 P23975 3/20 0.41
PGR P06401 2/20 0.41
CHRM2 P08172 2/20 0.41
AR P10275 2/20 0.41
CHRM1 P11229 2/20 0.41

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
SCHEMBL11027740 0.83 ACHE (0.44) MAPTHTTLMNASLC6A2SLC6A3
SCHEMBL15086082 0.81 MAOA (0.50) ALDH1A1SMN1; SMN2ALOX12
SCHEMBL5165126 0.81 HTT (0.45) HTTLMNACYP2C9MEN1KMT2A
SCHEMBL15086054 0.81 MAOA (0.50) HTTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL535991 0.80 MAOA (0.47) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11982226 0.79 TSHR (0.48) MAPTHTTALOX15DRD1TP53
SCHEMBL6955538 0.75 ESR1 (0.43) MAPTHSD17B10HTTGFERGPR55
SCHEMBL5749794 0.75 ESR1 (0.58) MAPTHSD17B10HTTGFERGPR55
SCHEMBL6781250 0.74 HSD17B3 (0.55) ESR1ESR2ALDH1A1TDP1CA12
SCHEMBL20976888 0.74 KDM4E (0.30) MAPTMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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