SCHEMBL10367142

SCHEMBL10367142

CC(C)Cc1cc(O)c2c(c1)OC(C)(C)CC2=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MITF O75030 1/20 0.43
NR2F2 P24468 1/20 0.43
POLB P06746 2/20 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
SCHEMBL4518634 0.82 ALDH1A1 (0.65) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11381814 0.79 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10989218 0.79 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4506446 0.79 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL1146705 0.78 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10403135 0.78 RAB9A (0.65) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL20116002 0.77 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10482619 0.76 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL10365140 0.75 MAOB (0.54) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11380576 0.73 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1LMNASMN1; SMN2

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
EP-0089781-B1 BICYCLIC BENZO FUSED COMPOUNDS PFIZER INC. (US) 1990-08-08 EP disclosed
US-4870084-A ANALGESICS, ANTIDIARRHEALS PFIZER INC. (US) 1989-09-26 US disclosed
US-4863934-A Bicyclic benzo fused pyran compounds used for producing analgesia PFIZER INC. (US) 1989-09-05 US disclosed
US-4841078-A ANALGESICS PFIZER INC. (US) 1989-06-20 US disclosed
US-4680404-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS PFIZER INC. (US) 1987-07-14 US disclosed
US-4486428-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-12-04 US disclosed