SCHEMBL11513679

SCHEMBL11513679

C=CCCCC(CCCI)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
ABCC4 O15439 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
GLS2 Q9UI32 1/20 0.31
TSHR P16473 2/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL11122986 0.86 ALDH1A1 (0.41) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4016772 0.86 USP2 (0.54) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16265047 0.85 TSHR (0.44) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11515051 0.85 USP2 (0.40) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL28434723 0.84 USP2 (0.42) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL23668793 0.81 TSHR (0.37) MAPTSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL11041362 0.80 USP2 (0.49) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11124230 0.80 USP2 (0.49) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30722293 0.80 TSHR (0.52) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL11121672 0.80 USP2 (0.49) USP2MAPTSMN1; SMN2ALDH1A1CYP3A4

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-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 US disclosed