SCHEMBL97726

SCHEMBL97726

CCC(CC(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.37
ESR2 Q92731 3/20 0.37
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL14357342 0.87 LMNA (0.34) ESR1KMT2ANPSR1LMNACYP3A4
SCHEMBL97810 0.87 HSD11B1 (0.33) HSD11B1
SCHEMBL14066995 0.84 MEN1 (0.36) KMT2AMAPTGAAHSD17B10
SCHEMBL14725419 0.81 ESR1 (0.36) ESR1ESR2KMT2ANPSR1HSP90AA1
SCHEMBL26374252 0.80 LMNA (0.33) KMT2ALMNACYP3A4CYP2C19HSD17B10
SCHEMBL26374280 0.78 MEN1 (0.33) KMT2A
SCHEMBL683427 0.78 ALDH1A1 (0.34) KMT2ALMNAHSD11B1
SCHEMBL26080956 0.77 ESR1 (0.37) ESR1ESR2MAPTLMNACYP1A2
SCHEMBL25504763 0.76 ESR1 (0.33) ESR1ESR2CYP17A1CYP19A1
SCHEMBL13376967 0.76 CYP17A1 (0.40) ESR1ESR2KMT2ANPSR1HSP90AA1

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
US-8470513-B2 Radiation-sensitive resin composition and polymer JSR CORPORATION (JP) 2013-06-25 US disclosed
US-20120058429-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2012-03-08 US disclosed