SCHEMBL10412944

SCHEMBL10412944

O=C(Nc1ccccc1CCc1ccc(O)c(O)c1)C1=C(O)c2ccccc2SC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 3/20 0.42
▸ ALOX15 P16050 6/20 0.40
▸ TP53 P04637 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ MAPT P10636 7/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TERT O14746 1/20 0.36
▸ TOP1 P11387 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ NR1H2 P55055 1/20 0.35

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
SCHEMBL10411375 0.90 NR1H3 (0.40) NR1H3ALOX15TP53ABCB1MAPT
SCHEMBL10412136 0.88 PTGES (0.43) TP53ABCB1MAPTPOLBSMN1; SMN2
SCHEMBL10412130 0.86 ALOX15 (0.56) NR1H3ALOX15TP53MAPTCCR5
SCHEMBL10483445 0.85 MAPT (0.48) NR1H3TP53ABCB1MAPTPOLB
SCHEMBL10412487 0.78 ALOX15 (0.48) NR1H3ALOX15TP53MAPTCCR5
SCHEMBL10411376 0.78 NR1H3 (0.43) NR1H3ALOX15ABCB1MAPTTERT
SCHEMBL10412146 0.78 ALOX15 (0.44) ALOX15TP53MAPTSMN1; SMN2
SCHEMBL10411974 0.75 MAPT (0.43) ALOX15TP53MAPTPOLB
SCHEMBL10411370 0.75 ALOX15 (0.45) ALOX15TP53MAPTPOLB
SCHEMBL10411296 0.75 ALOX15 (0.57) ALOX15TOP1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 — — US claimed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 — — US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 — — US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 — — US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 — — US disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 — — EP disclosed
Send feedback