SCHEMBL16429445

SCHEMBL16429445

O=C(O)c1ccc(C(F)(F)C(F)(F)C(F)(F)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.61
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
EPHX2 P34913 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL30144875 0.95 SRD5A2 (0.61) SRD5A2TSHRTP53RXRARXRB
SCHEMBL30144881 0.93 SRD5A2 (0.59) SRD5A2TSHRTP53RXRARXRB
SCHEMBL2058451 0.90 SRD5A2 (0.55) SRD5A2TSHRTP53RXRARXRB
SCHEMBL11055995 0.88 SRD5A2 (0.53) SRD5A2TSHRTP53RXRARXRB
SCHEMBL2058690 0.88 SRD5A2 (0.53) SRD5A2TSHRTP53RXRARXRB
SCHEMBL8417608 0.88 SRD5A2 (0.53) SRD5A2TSHRTP53RXRARXRB
SCHEMBL3241556 0.86 SRD5A2 (0.61) SRD5A2TSHRTP53RXRARXRB
SCHEMBL16429290 0.86 SRD5A2 (0.59) SRD5A2TSHRRXRARXRBRXRG
SCHEMBL9178487 0.83 SRD5A2 (0.57) SRD5A2TSHRTP53RXRARXRB
SCHEMBL4861421 0.83 SRD5A2 (0.57) SRD5A2TSHRTP53RXRARXRB

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-9321017-B2 Gas-separation membrane NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2016-04-26 US disclosed
US-20150033945-A1 GAS-SEPARATION MEMBRANE NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2015-02-05 US disclosed