SCHEMBL11636720

SCHEMBL11636720

CCCCC(C)(C)C(=O)CP(=O)(O)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 12/20 0.39
GGPS1 O95749 7/20 0.35
SMPD1 P17405 3/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL4940540 0.85 PPARD (0.39) FDPSGGPS1SMPD1
SCHEMBL961898 0.84 FDPS (0.36) FDPSGGPS1SMPD1KDM4ETP53
SCHEMBL16841368 0.83 FDPS (0.35) FDPSGGPS1SMPD1KDM4ETP53
SCHEMBL3741739 0.82 FDPS (0.44) FDPSGGPS1
SCHEMBL11515807 0.81 CES2 (0.40) FDPSGGPS1
SCHEMBL9632329 0.79 FDPS (0.39) FDPSGGPS1SMPD1KDM4ETP53
SCHEMBL10357106 0.78 GGPS1 (0.42) FDPSGGPS1SMPD1KDM4ETP53
SCHEMBL9633798 0.78 GGPS1 (0.42) FDPSGGPS1SMPD1KDM4ETP53
SCHEMBL10682984 0.77 FDPS (0.47) FDPSGGPS1SMPD1
SCHEMBL10683628 0.75 GGPS1 (0.50) FDPSGGPS1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4107191-A PROSTAGLANDINS, BLOOD PRESSURE LOWERING, LABOR INDUCTION, REPRODUCTIVE-CYCLE REGULATION, GASTRIC ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-15 US disclosed
US-4104474-A PROSTAGLANDINS, HYPOTENSIVE, OXYTOCICS, ANTIFERTILITY, ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-01 US disclosed
US-4099015-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4086258-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-25 US disclosed
US-4058564-A PROSTAGLANDINS; HYPOTENSIVE, LABOR INDUCERS, ANTISECRETORY THE UPJOHN COMPANY (US) 1977-11-15 US disclosed
US-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 US disclosed