SCHEMBL21169892

SCHEMBL21169892

C=C(CC)c1ccc(C(S)(CC)CC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIK2 Q13002 1/20 0.32
AR P10275 2/20 0.31
NR1I2 O75469 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
NR3C1 P04150 1/20 0.30
TP53 P04637 1/20 0.30
FYN P06241 1/20 0.30
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRB1 P08588 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL18811502 0.85 MEN1 (0.32) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL20402669 0.84 GRIK2 (0.32) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL2263489 0.80 NR1I2 (0.42) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL7785831 0.79 HDAC1 (0.45) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL7544549 0.78 MEN1 (0.33) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL1475613 0.78 CES2 (0.48) PTGS1PTGS2
SCHEMBL19997500 0.77 HDAC1 (0.32) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL12378904 0.74 GRIK2 (0.35) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL8410387 0.72 SLC6A4 (0.36) ESR1ESR2MEN1CYP1A2KMT2A
SCHEMBL5749794 0.72 ESR1 (0.58) ESR1ESR2MEN1CYP1A2KMT2A

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-20190219921-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, PATTERN FORMING METHOD, AND METHOD OF MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed