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Sugi Predict / Compounds / SCHEMBL8946983

SCHEMBL8946983

SCHEMBL8946983

COc1cc(C)c2c(c1)[C@H]1Cc3ccccc3[C@@]1(C)N2C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL8946981 1.00 ALDH1A1 (0.35) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL8946987 1.00 ALDH1A1 (0.35) ALDH1A1TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL8946282 0.78 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8946288 0.78 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8946545 0.75 HTR2A (0.36) ALDH1A1TSHRHTR2A
SCHEMBL8946537 0.75 HTR2A (0.36) ALDH1A1TSHRHTR2A
SCHEMBL8946539 0.75 HTR2A (0.36) ALDH1A1TSHRHTR2A
SCHEMBL8946531 0.71 BACE1 (0.35) ALDH1A1
SCHEMBL8946525 0.71 BACE1 (0.35) ALDH1A1
SCHEMBL8946533 0.71 BACE1 (0.35) ALDH1A1

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-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 — — US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 — — EP disclosed