SCHEMBL8924157

SCHEMBL8924157

COc1ccc(-c2ccccc2CCc2ccncc2)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.44
▸ ABCB1 P08183 4/20 0.43
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41
▸ TUBA1A Q71U36 1/20 0.41
▸ TUBA1C Q9BQE3 1/20 0.41
▸ TUBB6 Q9BUF5 1/20 0.41
▸ TUBB2B Q9BVA1 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41

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
SCHEMBL23202596 0.87 TUBB4A (0.55) ABCB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31079358 0.87 TUBB4A (0.55) ABCB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23202589 0.85 ABCB1 (0.54) ABCB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23202582 0.82 TUBB4A (0.52) ABCB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23202587 0.81 TSHR (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27657387 0.78 PDE4A (0.56) —
SCHEMBL6882017 0.78 PDE4A (0.56) —
SCHEMBL27183350 0.78 IDO1 (0.48) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7408733 0.78 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Hydrochloric Acid SCHEMBL28062431 0.78 PDE4D (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622977-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-22 — — US disclosed
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