SCHEMBL7972707

SCHEMBL7972707

COc1cc(OC)cc(OCCCCCCN)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
TAAR1 Q96RJ0 1/20 0.42
AHR P35869 1/20 0.42
PLA2G2A P14555 1/20 0.41
F2 P00734 2/20 0.40

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
SCHEMBL17334643 0.85 MAPK1 (0.56) ALDH1A1MAOBTAAR1
SCHEMBL8908947 0.85 ALDH1A1 (0.52) ALDH1A1TAAR1AHRPLA2G2A
SCHEMBL15923392 0.83 MAPT (0.51) MAOBTAAR1
SCHEMBL4030217 0.83 MAPT (0.51) MAOBTAAR1
SCHEMBL7237766 0.82 MAPK1 (0.57) ALDH1A1MAOBTAAR1
SCHEMBL6255090 0.81 MAPT (0.53) ALDH1A1MAOBTAAR1
SCHEMBL7390211 0.81 ALDH1A1 (0.48) ALDH1A1FFAR1PPARGPPARDPPARA
SCHEMBL28360552 0.81 PLA2G2A (0.59) ALDH1A1MAOAMAOBAHRPLA2G2A
Hydrazine SCHEMBL17334655 0.80 MAPT (0.49) MAOBTAAR1
SCHEMBL16447478 0.79 TAAR1 (0.44) TAAR1PLA2G2A

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-6303641-B1 FOR THERAPY AND PROPHYLAXIS OF DISEASES CHARACTERIZED BY ABNORMAL CELL DIFFERENTIATION AND/OR CELL PROLIFERATION SUCH AS PSORIASIS AND CANCER LEO PHARMACEUTICALS PRODUCTS LTD. (DK) 2001-10-16 US disclosed
EP-0984940-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054147-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed