SCHEMBL11380570

SCHEMBL11380570

CC(CCOc1ccccc1)c1cc(O)c2c(c1)OC(C)(C)CC2=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RIPK1 Q13546 1/20 0.43
▸ MITF O75030 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ POLB P06746 2/20 0.41

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
SCHEMBL11387518 0.95 RAB9A (0.49) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL11379786 0.84 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL11383830 0.82 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL11379351 0.82 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL11376381 0.80 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL11379612 0.79 RIPK1 (0.34) RIPK1
SCHEMBL11379615 0.79 RIPK1 (0.34) RIPK1
SCHEMBL11383035 0.77 S1PR1 (0.33) RAB9ANPC1HTTRIPK1
SCHEMBL4506446 0.76 ALDH1A1 (0.68) RAB9ANPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL11382132 0.75 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243674-A HYPOTENSIVE AGENTS; ANALGESICS; ANTISECRETORY AGENTS; ANTIBODY INHIBITORS, AND TRANQUILIZERS PFIZER INC. (US) 1981-01-06 — — US disclosed
US-4143139-A ANALGESICS, HYPOTENSIVES, IMMUNOSUPPRESSANTS, TRANQUILIZERS, ANTISECRETORY, ANTI-ANXIETY PFIZER INC. (US) 1979-03-06 — — US disclosed
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