SCHEMBL9814841

SCHEMBL9814841

O=C(c1ccc(F)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.72
PARP10 Q53GL7 1/20 0.58
POLB P06746 1/20 0.56
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55
ELANE P08246 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL7929154 0.96 SRD5A2 (0.67) SRD5A2PARP10POLBBCL2L1MCL1
SCHEMBL15448720 0.92 SRD5A2 (0.59) SRD5A2PARP10POLBALDH1A1NPSR1
SCHEMBL2862520 0.92 SRD5A2 (0.59) SRD5A2PARP10POLBALDH1A1NPSR1
SCHEMBL3020544 0.92 SRD5A2 (0.59) SRD5A2PARP10POLBALDH1A1NPSR1
SCHEMBL28319232 0.92 SRD5A2 (0.59) SRD5A2PARP10POLBALDH1A1NPSR1
SCHEMBL9536469 0.90 SRD5A2 (0.88) SRD5A2PARP10POLBELANEALDH1A1
SCHEMBL13599782 0.90 SRD5A2 (0.88) SRD5A2PARP10POLBELANEALDH1A1
SCHEMBL1082112 0.90 SRD5A2 (0.88) SRD5A2PARP10POLBELANEALDH1A1
SCHEMBL235530 0.90 SRD5A2 (0.88) SRD5A2PARP10POLBELANEALDH1A1
SCHEMBL2866068 0.90 SRD5A2 (0.88) SRD5A2PARP10POLBELANEALDH1A1

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-0262919-B1 PREPARATION OF ARYL CARBONYL COMPOUNDS RAYCHEM LIMITED (GB) 1991-09-11 EP disclosed
US-4898983-A FRIEDEL-CRAFTS PROCESS; LEWIS ACIDS, BY-PRODUCT INHIBITION; ACID HALIDES, ACTIVE HYDROGEN AROMATIC COMPONENTS; CONTROLLING AGENTS RAYCHEM LIMITED (GB) 1990-02-06 US disclosed
EP-0262919-A2 Preparation of aryl carbonyl compounds RAYCHEM LIMITED (GB) 1988-04-06 EP disclosed