SCHEMBL9535770

SCHEMBL9535770

CCC(C)c1c(Cc2ccccc2)cccc1[C](C)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TRPA1 O75762 1/20 0.33
CAPN1 P07384 1/20 0.33
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33

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
SCHEMBL7439627 0.76 SCN1A (0.33) L3MBTL1
SCHEMBL7436705 0.74 L3MBTL1 (0.37) L3MBTL1PTPN1TSHRCYP3A4CYP2D6
SCHEMBL9134829 0.71 L3MBTL1 (0.41) L3MBTL1PTPN1TSHRCYP3A4CYP2D6
SCHEMBL9132471 0.69 TSHR (0.49) TSHRPOLBTRPA1
SCHEMBL9133864 0.69 GABRA1 (0.42) TSHRPOLBCYP3A4GAASMN1; SMN2
SCHEMBL1824047 0.69 SMN1; SMN2 (0.50) L3MBTL1TSHRPOLBCYP3A4GAA
SCHEMBL5664115 0.69 TSHR (0.52) L3MBTL1TSHRPOLBTRPA1BCL2
SCHEMBL9099802 0.68 SMN1; SMN2 (0.57) L3MBTL1TSHRPOLBCYP3A4CYP2D6
SCHEMBL7435318 0.68 SCN1A (0.38) L3MBTL1PTPN1TSHRCYP3A4CYP2D6
SCHEMBL6546378 0.67 L3MBTL1 (0.46) L3MBTL1CYP3A4CYP2D6CYP2C19BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed