SCHEMBL3175997

SCHEMBL3175997

CC(C)OC(=O)C(C)CSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.51
MTNR1B P49286 7/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TSHR P16473 1/20 0.45
FFAR1 O14842 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL17880630 0.81 MTNR1A (0.49) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL7368245 0.80 MTNR1A (0.59) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL9240331 0.77 ACE (0.47) MTNR1AMTNR1BMAOAMAOB
SCHEMBL9240334 0.77 ACE (0.47) MTNR1AMTNR1BMAOAMAOB
SCHEMBL7394102 0.76 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL7394099 0.76 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL14140383 0.76 TSHR (0.56) MTNR1AMTNR1BTSHRFFAR1MAPT
SCHEMBL11522445 0.74 MAOA (0.59) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL10719269 0.74 MTNR1A (0.53) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL1496593 0.74 MAOA (0.63) MTNR1AMTNR1BMAOAMAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100018920-A1 REACTION AND SEPARATION METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-28 US disclosed
EP-1269170-A4 REACTION AND SEPARATION METHODS UNIV PITTSBURGH (US) 2007-10-31 EP disclosed
US-20040197829-A1 Reaction and separation methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-07 US disclosed
US-6749756-B1 Reaction and separation methods UNIVERSITY OF PITTSBURGH 2004-06-15 US disclosed
EP-1269170-A1 REACTION AND SEPARATION METHODS UNIVERSITY OF PITTSBURGH (US) 2003-01-02 EP disclosed
WO-2001061332-A1 REACTION AND SEPARATION METHODS UNIVERSITY OF PITTSBURGH (US) 2001-08-23 WO disclosed