SCHEMBL10693321

SCHEMBL10693321

COc1ccc2cc3ccccc3c(OCCCCCCCCCCl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2A6 P11509 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
PPARG P37231 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 1/20 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
SCHEMBL10688006 0.90 CYP1A2 (0.45) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL10688770 0.88 CYP1A2 (0.42) CYP1A2CYP2A6TUBB4ATUBBTUBA3C
SCHEMBL10973045 0.86 MTNR1A (0.37) CYP1A2CYP2A6PPARGMTNR1AMTNR1B
SCHEMBL10694029 0.86 HTR2A (0.49) CYP1A2CYP2A6HTR2AKDM4EALDH1A1
SCHEMBL10692840 0.85 L3MBTL1 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10693502 0.85 L3MBTL1 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10694532 0.85 L3MBTL1 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10693833 0.85 L3MBTL1 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10691921 0.85 L3MBTL1 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10693825 0.85 L3MBTL1 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4792551-A 9-anthryloxyaminoalkanes and related compounds as anti-inflammatory and analgetic agents SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0132351-A2 9-Anthryloxyaminoalkanes and related compounds, processes for their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1985-01-30 EP disclosed