SCHEMBL8921736

SCHEMBL8921736

O=C(O)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C(=O)O)cc4)cc3)(C(F)(F)F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 6/20 0.49
FAAH O00519 1/20 0.48
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK14 Q16539 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
NR4A2 P43354 2/20 0.40
RXRG P48443 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8923504 0.95 PARP15 (0.51) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL1636048 0.92 PARP15 (0.55) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL9740386 0.92 PARP15 (0.55) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL8923492 0.90 SRD5A2 (0.55) SRD5A2EPHX2TSHRCA1CA2
SCHEMBL28312519 0.85 PARP15 (0.51) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL21656835 0.85 PARP15 (0.51) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL8922203 0.84 SRD5A2 (0.57) SRD5A2EPHX2ALDH1A1TSHRCA1
SCHEMBL21656836 0.84 PARP15 (0.50) PARP15PARP10SRD5A2FAAHEPHX2
SCHEMBL9153473 0.82 POLB (0.51) ALDH1A1HSD17B10NPC1POLBCYP2C9
SCHEMBL21656465 0.81 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-5670084-A Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-23 US disclosed
EP-0708149-A1 Alignment layer material for liquid crystal display devices HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed