SCHEMBL7375669

SCHEMBL7375669

COc1ccc(CBr)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 2/20 0.45
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.42
IDO1 P14902 2/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
AGXT P21549 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 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
Benzyl Bromide SCHEMBL10545816 0.87 LTA4H (0.69) LTA4HALDH1A1TRPA1TSHRCA4
SCHEMBL11175226 0.84 TSHR (0.49) LTA4HALDH1A1TRPA1TSHRCA4
SCHEMBL8885157 0.83 LTA4H (0.50) LTA4HALDH1A1TRPA1TSHRSIGMAR1
SCHEMBL54543 0.82 CA4 (0.59) LTA4HALDH1A1TRPA1CA4TDP1
SCHEMBL30705746 0.82 TRPA1 (0.59) ALDH1A1TRPA1TSHRTDP1CYP3A4
SCHEMBL25308490 0.82 CA4 (0.59) LTA4HALDH1A1TRPA1CA4TDP1
SCHEMBL49610 0.82 CA4 (0.59) LTA4HALDH1A1TRPA1CA4TDP1
SCHEMBL28654739 0.82 IDO1 (0.58) LTA4HALDH1A1TSHRCYP3A4IDO1
SCHEMBL2883 0.82 IDO1 (0.58) LTA4HALDH1A1TSHRCYP3A4IDO1
SCHEMBL1043929 0.82 LTA4H (0.53) LTA4HALDH1A1CA4SIGMAR1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753676-A TREATMENT OF PSYCHOLOGICAL DISORDERS, NERVOUS SYSTEM DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1998-05-19 US disclosed
US-5681839-A BLOCK VOLTAGE GATED POTASSIUM CHANNEL JOHN WYETH & BROTHER (GB) 1997-10-28 US disclosed
WO-1995021825-A1 6-ARYL-(METHYL- OR METHYLIDONE)-QUINOLINE DERIVATIVES AS VOLTAGE-GATED POTASSIUM CHANNEL BLOCKERS JOHN WYETH & BROTHER LTD. (GB) 1995-08-17 WO disclosed
WO-1995021824-A1 6-ARYL-(METHYL- OR METHYLIDENE)-QUINOL-2-ONE DERIVATIVES AS VOLTAGE GATED POTASSIUM CHANNEL BLOCKERS JOHN WYETH & BROTHER LTD (GB) 1995-08-17 WO disclosed
US-4342780-A 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE MERRELL-TORAUDE ET CIE (FR) 1982-08-03 US disclosed