SCHEMBL8019602

SCHEMBL8019602

O=C1CCCOc2ccc(O)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.60
MAOB P27338 3/20 0.60
PRKCI P41743 1/20 0.50
PBRM1 Q86U86 1/20 0.49
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 2/20 0.44
HSD17B1 P14061 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
UGT1A1 P22309 1/20 0.38
AKT1 P31749 1/20 0.37

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
SCHEMBL2981516 0.89 MAOB (0.74) MAOAMAOBPRKCIPBRM1MAPT
SCHEMBL20165294 0.86 MAOB (0.81) MAOAMAOBPRKCIPBRM1ALDH1A1
SCHEMBL29756757 0.86 MAOB (0.81) MAOAMAOBPRKCIPBRM1ALDH1A1
SCHEMBL989569 0.83 PBRM1 (0.47) MAOAMAOBPBRM1MAPTAR
SCHEMBL7605645 0.80 ALDH1A1 (0.49) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL7962215 0.79 MAOB (0.40) MAOAMAOBPRKCIMAPTALDH1A1
SCHEMBL6205990 0.79 CASP1 (0.44) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL1181902 0.79 CTSL (0.46) MAOAMAOBRAB9AARCYP19A1
SCHEMBL1484962 0.79 FABP6 (0.55) MAOAMAOBMAPTALDH1A1RAB9A
SCHEMBL3223921 0.78 MAPT (0.60) MAOAMAOBPBRM1MAPTALDH1A1

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-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
EP-0313295-B1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1993-07-28 EP disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed