SCHEMBL18574477

SCHEMBL18574477

CC(I)CC(C)(C)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.53
ESR1 P03372 12/20 0.52
ESR2 Q92731 11/20 0.52
CYP3A4 P08684 3/20 0.46
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR6 P50406 1/20 0.46
ESRRG P62508 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL18403099 0.81 ESR1 (0.43) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL13061691 0.80 SHBG (0.53) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL23366127 0.79 ALOX15 (0.52) ESR1ESR2CYP3A4LMNAAR
SCHEMBL3480352 0.78 SHBG (0.52) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL18574324 0.77 GRIN2D (0.34)
Phosphonic Acid SCHEMBL10410133 0.76 SHBG (0.48) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL22827348 0.76 SLC6A2 (0.36) CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL18574474 0.73 HSD17B2 (0.46) CYP3A4LMNATSHR
SCHEMBL10708021 0.72 ESR1 (0.52) SHBGESR1ESR2CYP3A4LMNA
SCHEMBL21103925 0.72 HSP90AA1 (0.41) LMNAHPGDALDH1A1

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
US-20170059990-A1 RADIATION-SENSITIVE OR ACTINIC RAY-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE SAME, MASK BLANK, RESIST PATTERN FORMING METHOD, ELECTRONIC DEVICE MANUFACTURING METHOD, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-03-02 US disclosed