SCHEMBL20008783

SCHEMBL20008783

C=C(C)C1CCC2(C)C(O)CCC(C)C2C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.42
USP7 Q93009 1/20 0.40
LMNA P02545 3/20 0.38
GPBAR1 Q8TDU6 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SERPINA6 P08185 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 4/20 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
SCHEMBL3861664 0.78 SHBG (0.47) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL11671323 0.72 SMN1; SMN2 (0.36) USP7
SCHEMBL11671327 0.72 SMN1; SMN2 (0.36) USP7
SCHEMBL8592422 0.72 SHBG (0.50) SHBGLMNAGPBAR1CYP1A2CYP3A4
SCHEMBL6284974 0.72 SHBG (0.43) SHBGLMNAGPBAR1CYP1A2CYP3A4
Cyperusol C SCHEMBL17866804 0.71 USP7 (0.42) USP7LMNAGPBAR1HSD17B10
Cyperusol C SCHEMBL19714786 0.71 USP7 (0.42) USP7LMNAGPBAR1HSD17B10
Cyperusol C SCHEMBL17866805 0.71 USP7 (0.42) USP7LMNAGPBAR1HSD17B10
SCHEMBL9323956 0.70 USP7 (0.30) USP7
SCHEMBL14278525 0.70 CA1 (0.37) USP7CYP3A4TSHR

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-20180086983-A1 PROCESS FOR PREPARING PRODUCT OIL FROM PEAT, COIR OR PEAT-LIKE SUBSTANCES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-03-29 US disclosed
US-20180086983-A1 PROCESS FOR PREPARING PRODUCT OIL FROM PEAT, COIR OR PEAT-LIKE SUBSTANCES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-03-29 US disclosed