SCHEMBL4959424

SCHEMBL4959424

COc1cc([C](C)C)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
CYP3A4 P08684 1/20 0.58
ACHE P22303 1/20 0.54
CA9 Q16790 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TUBB1 Q9H4B7 5/20 0.50
TUBB4A P04350 3/20 0.50
TUBB P07437 3/20 0.50
TUBA3C P0DPH7 3/20 0.50
TUBA1B P68363 3/20 0.50
TUBA4A P68366 3/20 0.50
TUBB4B P68371 3/20 0.50
TUBB3 Q13509 3/20 0.50
TUBB2A Q13885 3/20 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
SCHEMBL290542 0.81 LMNA (0.69) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL27417353 0.81 MAPT (0.54) MAPTCYP3A4ACHECA9MEN1
Hydrochloric Acid SCHEMBL29142671 0.79 LMNA (0.67) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL4819729 0.78 TUBB4A (0.75) CYP3A4TUBB1TUBB4ATUBBTUBA3C
SCHEMBL4625442 0.78 TUBB1 (0.58) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL23734449 0.78 TUBB1 (0.55) MAPTCYP3A4MEN1KMT2AALDH1A1
SCHEMBL13268825 0.78 HTT (0.56) MAPTCYP3A4ACHECA9MEN1
SCHEMBL4089388 0.76 TUBB4A (0.56) MAPTCYP3A4ACHEMEN1KMT2A
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.76 TPMT (0.78) MAPTCYP3A4CA9KMT2AALDH1A1
SCHEMBL10510032 0.76 ALDH1A1 (0.58) MAPTCYP3A4ACHECA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 US disclosed