SCHEMBL7308988

SCHEMBL7308988

O=C1CCCC1(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
AKR1C1 Q04828 1/20 0.42
HDAC4 P56524 2/20 0.38
HSD11B1 P28845 2/20 0.37
PGR P06401 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL7875370 0.94 AKR1C1 (0.46) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL10489527 0.92 HDAC4 (0.46) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL3635780 0.88 MEN1 (0.47) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL3666780 0.75 MEN1 (0.47) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL6316631 0.74 PGR (0.47) MEN1KMT2AAKR1C1PGRTSHR
SCHEMBL1617477 0.74 ALDH1A1 (0.41) MEN1KMT2AALDH1A1OPRM1OPRL1
SCHEMBL512374 0.72 MEN1 (0.44) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL28167765 0.72 MEN1 (0.44) CYP2C9MEN1KMT2AALDH1A1AKR1C1
SCHEMBL21035760 0.71 SLC6A4 (0.46) MEN1KMT2AALDH1A1OPRM1OPRK1
SCHEMBL21001930 0.71 SLC6A4 (0.46) MEN1KMT2AALDH1A1OPRM1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153235-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC ACTIVITIES RICHARDSON-MERRELL INC. (US) 1979-05-08 US disclosed
US-4126613-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC RICHARDSON-MERRELL INC. (US) 1978-11-21 US disclosed
US-4126612-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC Retter, Eugene O. (US) 1978-11-21 US disclosed
US-4126611-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC RICHARDSON-MERRELL INC. (US) 1978-11-21 US disclosed
US-4126621-A HYPOGLYCEMIC, HYPOTENSIVE, ANTIINFLAMMATORY, ANTICOAGULANT, DIURETIC RICHARDSON-MERRELL INC. (US) 1978-11-21 US disclosed