SCHEMBL9820733

SCHEMBL9820733

CCOC(=O)C1CC1(C)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RORC P51449 3/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 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
SCHEMBL1474477 0.88 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1474012 0.87 RORC (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL23020811 0.85 OPRM1 (0.43) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL15200618 0.83 OPRM1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL15977390 0.82 L3MBTL1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL15978552 0.82 L3MBTL1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6081343 0.82 L3MBTL1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL15978556 0.82 L3MBTL1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL15977383 0.82 L3MBTL1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1474532 0.82 HRH2 (0.36) MEN1KMT2AALDH1A1MAPTLMNA

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
EP-0188887-B1 TERTIARY AMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-02 EP disclosed
EP-0188887-A1 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-30 EP disclosed