SCHEMBL9740386

SCHEMBL9740386

O=C(O)c1ccc(Oc2ccc(C(c3ccc(C(=O)O)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.55
PARP10 Q53GL7 1/20 0.55
SRD5A2 P31213 6/20 0.53
FAAH O00519 1/20 0.51
EPHX2 P34913 1/20 0.51
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAPK14 Q16539 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
NR4A2 P43354 1/20 0.43
RXRG P48443 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1636048 1.00 PARP15 (0.55) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL8921736 0.92 PARP15 (0.50) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL8923504 0.90 PARP15 (0.51) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL336470 0.89 SRD5A2 (0.61) SRD5A2EPHX2TSHRALDH1A1CA1
SCHEMBL16429183 0.88 AKR1C3 (0.62) PARP15PARP10SRD5A2ALDH1A1MAPK14
SCHEMBL9742817 0.87 SRD5A2 (0.68) PARP15PARP10SRD5A2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19837805 0.87 SRD5A2 (0.59) SRD5A2EPHX2TSHRALDH1A1CA1
Hydrochloric Acid SCHEMBL8505603 0.87 SRD5A2 (0.59) SRD5A2EPHX2TSHRALDH1A1CA1
SCHEMBL21656834 0.86 PARP15 (0.55) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL21656465 0.86 PARP15 (0.55) PARP15PARP10SRD5A2FAAHEPHX2

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-5110983-A Intermediates for heat-resistant polyamides and polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-05 US disclosed
EP-0389961-A1 Monomerides containing the hexafluoroisopropyl group, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-03 EP disclosed