SCHEMBL11505016

SCHEMBL11505016

O=C(c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.59
EPHX2 P34913 1/20 0.53
CNR1 P21554 1/20 0.52
GRIN2B Q13224 1/20 0.50
PARP1 P09874 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
PPARA Q07869 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
SCHEMBL3445668 0.86 PARP1 (0.63) SRD5A2PARP1ALDH1A1
SCHEMBL2941622 0.84 SRD5A2 (0.81) SRD5A2EPHX2CNR1CES2CES1
SCHEMBL28565479 0.83 SRD5A2 (0.73) SRD5A2CNR1CES2KMT2AMEN1
SCHEMBL3177794 0.82 PARP1 (0.59) SRD5A2CNR1PARP1CES2CES1
SCHEMBL11057221 0.82 SRD5A2 (0.68) SRD5A2EPHX2CES2CES1
SCHEMBL3173817 0.82 PARP1 (0.68) PARP1MAPTALDH1A1HTT
SCHEMBL11025334 0.81 SRD5A2 (0.61) SRD5A2EPHX2CES2CES1LMNA
SCHEMBL3444654 0.81 VNN1 (0.58) GRIN2BPARP1LMNAMAPTSMN1; SMN2
SCHEMBL1133114 0.80 ATM (0.71) CNR1PARP1ALDH1A1
SCHEMBL31514279 0.80 ATM (0.71) CNR1PARP1ALDH1A1

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-4175945-A PLANT GROWTH REGULATORS FOR TABACCO ROHM AND HAAS COMPANY (US) 1979-11-27 US disclosed
US-4120687-A CONTROLLING GROWTH OF TOBACCO SUCKERS MEISINGER ROBERT H 1978-10-17 US disclosed