SCHEMBL11670228

SCHEMBL11670228

CCOC(=O)CCCCCCC(CCCC(O)COc1cccc(C(C)=O)c1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL11659488 0.90 HPGD (0.37) SMN1; SMN2
SCHEMBL11654437 0.90 SMN1; SMN2 (0.46) KMT2AMEN1SMN1; SMN2
SCHEMBL11656559 0.89 TSHR (0.48) —
SCHEMBL11656949 0.88 TBXA2R (0.38) KMT2ASMN1; SMN2
SCHEMBL11657549 0.88 NPC1 (0.40) SMN1; SMN2
SCHEMBL11657750 0.88 TBXA2R (0.48) SMN1; SMN2
SCHEMBL11656355 0.88 MAPK1 (0.51) SMN1; SMN2
SCHEMBL11662117 0.88 ABCB1 (0.49) ABCB1KMT2AMEN1TAAR1MAOB
SCHEMBL11661605 0.87 HIF1A (0.37) SMN1; SMN2
SCHEMBL11655520 0.86 KDM4E (0.40) —

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-4061643-A ANTIFERTILITY MERCK & CO., INC. (US) 1977-12-06 — — US disclosed
US-4020177-A CONTRACEPTIVES MERCK & CO., INC. (US) 1977-04-26 — — US disclosed
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