SCHEMBL10620784

SCHEMBL10620784

CC(C)c1cc(C(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.52
GPR35 Q9HC97 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
MAPK1 P28482 2/20 0.52
PMP22 Q01453 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
GMNN O75496 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL10621489 0.88 TTR (0.61) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL8080421 0.87 GABRA1 (0.59) LMNAGABRA1GABRB1BCL2MCL1
SCHEMBL10620692 0.85 TTR (0.55) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL7370239 0.84 TTR (0.72) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL10619415 0.83 TTR (0.53) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL10618714 0.82 TTR (0.55) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL7367724 0.82 TTR (0.57) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL8077304 0.80 GABRA1 (0.57) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL10619447 0.80 TTR (0.50) TTRGPR35ALDH1A1LMNACYP3A4
SCHEMBL7029758 0.80 GABRA1 (0.54) TTRGPR35ALDH1A1LMNACYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118661-B1 FLUORINE-CONTAINING BENZOPHENONE DERIVATIVES Daikin Kogyo Co., Ltd. (JP) 1988-04-13 EP disclosed
US-4622066-A HERBICIDES DAIKIN KOGYO CO., LTD. (JP) 1986-11-11 US disclosed
EP-0118661-A2 Fluorine-containing benzophenone derivatives Daikin Kogyo Co., Ltd. (JP) 1984-09-19 EP disclosed