SCHEMBL9537227

SCHEMBL9537227

COC(=O)c1c(OC(C)C)c2cc(OC)ccc2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
ICAM1 P05362 2/20 0.47
SELE P16581 2/20 0.47
VCAM1 P19320 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL9146301 0.89 ICAM1 (0.58) L3MBTL1ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL9146163 0.88 KDM4E (0.48) L3MBTL1ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL9144156 0.87 ICAM1 (0.55) L3MBTL1ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL9534704 0.82 KDM4E (0.53) ICAM1SELESMN1; SMN2MAPTMEN1
Guanidine SCHEMBL8693373 0.81 ICAM1 (0.44) L3MBTL1ICAM1SELEVCAM1SMN1; SMN2
SCHEMBL5659192 0.80 L3MBTL1 (0.55) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9142199 0.79 L3MBTL1 (0.48) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9539011 0.79 MPO (0.44) ICAM1SELEVCAM1SMN1; SMN2POLB
SCHEMBL6656226 0.78 L3MBTL1 (0.45) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9142952 0.78 L3MBTL1 (0.47) L3MBTL1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed