SCHEMBL10604138

SCHEMBL10604138

CC(=O)CCCCC(=O)Nc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55
TUBB6 Q9BUF5 2/20 0.55
TUBB2B Q9BVA1 2/20 0.55
TUBB1 Q9H4B7 2/20 0.55
HDAC1 Q13547 9/20 0.50
HDAC6 Q9UBN7 9/20 0.50
HDAC11 Q96DB2 8/20 0.50
HDAC8 Q9BY41 8/20 0.50
HDAC3 O15379 8/20 0.50

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
SCHEMBL10604146 1.00 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7969707 0.87 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7969700 0.87 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7966880 0.87 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7966885 0.87 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL22510999 0.85 ALDH1A1 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7746900 0.80 KMT2A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7746901 0.80 KMT2A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18422219 0.79 HDAC3 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18422215 0.79 HDAC3 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4837305-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1989-06-06 US disclosed
EP-0117089-B1 BETA-ADRENERGIC ANTAGONIST COMPOUNDS AND DERIVATIVES OF BETA-ADRENERGIC ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-12-14 EP disclosed
US-4687873-A Derivatives of β-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1987-08-18 US disclosed
EP-0117089-A1 Beta-adrenergic antagonist compounds and derivatives of beta-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-08-29 EP disclosed