SCHEMBL9535986

SCHEMBL9535986

CC(=O)COc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL7746 0.89 ALOX15 (0.68) ALOX15SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8225239 0.81 SMN1; SMN2 (0.67) ALOX15SMN1; SMN2RAB9AALDH1A1HTT
Anisole SCHEMBL28851690 0.81 ALOX15 (0.59) ALOX15SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL9535989 0.79 ALOX15 (0.55) ALOX15SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL7530700 0.78 ALOX15 (0.59) ALOX15SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2955123 0.78 HPGD (0.50) ALOX15SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL7733929 0.78 MAPT (0.66) ALOX15SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL4741132 0.77 CYP3A4 (0.55) ALOX15SMN1; SMN2KMT2AMEN1MTNR1A
Butanone SCHEMBL28691940 0.77 TDP1 (0.55) SMN1; SMN2MAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL28046419 0.77 CYP3A4 (0.55) ALOX15SMN1; SMN2KMT2AMEN1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241043-B1 NOVEL DIARYLALKANOIDS HAVING ACTIVITY AS LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-09-01 EP disclosed
US-5177259-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1993-01-05 US disclosed
US-5142095-A Treating inflammation, allergies, asthma, cardiovascular disorders, psoriasis WARNER-LAMBERT COMPANY (US) 1992-08-25 US disclosed
US-5077411-A Antiallergens, antiinflammatory agents; cardiovascular disorders, migraines, psoriasis WARNER-LAMBERT CO. (US) 1991-12-31 US disclosed
US-4959503-A Diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1990-09-25 US disclosed
US-4810716-A ANTIINFLAMMATORY, ANTIALLERGY, ANTIISCHEMIC WARNER-LAMBERT COMPANY (US) 1989-03-07 US disclosed
EP-0241043-A2 Novel diarylalkanoids having activity as lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 1987-10-14 EP disclosed