SCHEMBL9875568

SCHEMBL9875568

CCCCCCOc1ccc(C(C)C)cc2ccc(CCC)c1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.38
CASR P41180 2/20 0.37
SMPD1 P17405 1/20 0.37
PPARG P37231 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 4/20 0.35
CNR1 P21554 2/20 0.35
CHUK O15111 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKCG P05129 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL9876488 0.95 CNR2 (0.39) PTPN11CASRSMPD1CNR2CNR1
SCHEMBL9875565 0.91 PTPN11 (0.41) PTPN11CASRSMPD1PTPN1PTPN6
SCHEMBL9875635 0.85 CASR (0.35) CASRALDH1A1L3MBTL1CNR2CNR1
SCHEMBL9876459 0.83 HTR2A (0.46)
SCHEMBL9875198 0.83 HTR2A (0.46)
SCHEMBL9876658 0.83 HTR2A (0.46)
SCHEMBL9876460 0.80 HTR2A (0.39) CASR
SCHEMBL9875981 0.78 HTR2A (0.37) ALDH1A1LMNAL3MBTL1CNR2
SCHEMBL9875633 0.77 GCGR (0.32) CASRCNR2
SCHEMBL9876439 0.76 HTR2A (0.47) CASR

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
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed