SCHEMBL11129488

SCHEMBL11129488

CC(C)(c1ccccc1)c1ccccc1-c1ccc(COCc2ccc(-c3ccccc3C(C)(C)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TACR1 P25103 2/20 0.40
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
CHRM3 P20309 2/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GSTP1 P09211 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL28628323 0.81 ALDH1A1 (0.43) ALDH1A1ESR1CYP3A4ESR2CNR2
SCHEMBL11054722 0.77 SLC13A5 (0.48) TSHRTACR1ARIDO1CNR2
Phosphoric Acid SCHEMBL29088567 0.72 PTPN5 (0.46) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL26410692 0.72 ALDH1A1 (0.35) ALDH1A1ESR1CYP3A4ESR2CNR2
SCHEMBL27989193 0.70 ABL1 (0.48) TSHRARALDH1A1ESR1CYP3A4
SCHEMBL2781355 0.69 TSHR (0.70) TSHRALDH1A1IDO1AGXTGSTP1
SCHEMBL1681361 0.69 RXRA (0.54) RXRARXRBRXRG
SCHEMBL2199266 0.69 ALDH1A1 (0.54) TSHRALDH1A1ESR1CYP3A4ESR2
SCHEMBL344517 0.69 ABL1 (0.50) TSHRARALDH1A1ESR1CYP3A4
SCHEMBL30897571 0.68 PDCD1 (0.46) ALDH1A1ESR1CYP3A4ESR2CNR2

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
JP-58087088-A None JP disclosed
JP-S5887088-A HEAT-SENSITIVE RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1983-05-24 JP disclosed