SCHEMBL9502763

SCHEMBL9502763

CC(C)COC(NCc1ccccc1)C(C)CN1CCN(S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.43
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK10 P53779 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL9502196 0.89 CYP2D6 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL9504119 0.86 CYP2D6 (0.44) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9502157 0.82 GPBAR1 (0.47) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9502829 0.82 SIGMAR1 (0.41) ALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL10518201 0.78 CXCR4 (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL9502751 0.68 KDM4E (0.39) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1029651 0.67 RECQL (0.73) TSHRALDH1A1RECQLSMN1; SMN2MEN1
SCHEMBL10386225 0.67 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2D6
SCHEMBL9502634 0.65 LMNA (0.49) TSHRALDH1A1MEN1KMT2ACYP2D6
SCHEMBL27565870 0.65 KMT2A (0.61) TSHRALDH1A1RECQLSMN1; SMN2MEN1

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-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed