SCHEMBL9814883

SCHEMBL9814883

O=C(c1ccc(F)cc1)c1ccc(C2C=CC(C(=O)c3ccc(F)cc3)(c3ccccc3)C=C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HTT P42858 2/20 0.38
ALPG P10696 2/20 0.38
USP2 O75604 1/20 0.38
EPHX1 P07099 1/20 0.37
LTA4H P09960 1/20 0.36
NR3C2 P08235 1/20 0.34
DRD2 P14416 1/20 0.34
SRD5A2 P31213 1/20 0.33
NPC1 O15118 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
CCNA2 P20248 1/20 0.33

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
SCHEMBL2188570 0.76 NPC1 (0.39) ALDH1A1LMNASMN1; SMN2EPHX1DRD2
SCHEMBL9199931 0.75 TSHR (0.39) ALDH1A1HPGDNR3C2SRD5A2MEN1
SCHEMBL6562734 0.70 MAOB (0.33) EPHX1ATM
Benzene SCHEMBL27709388 0.69 ALDH1A1 (0.70) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL7940606 0.69 ALDH1A1 (0.70) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL17068941 0.69 ALDH1A1 (0.70) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL27483853 0.69 ALDH1A1 (0.70) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL251921 0.69 ALDH1A1 (0.70) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL7373156 0.67 ALDH1A1 (0.67) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1
SCHEMBL238259 0.65 LTA4H (0.73) ALDH1A1LMNAHPGDSMN1; SMN2NPSR1

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