SCHEMBL6437345

SCHEMBL6437345

CCCCCCC(=O)Nc1sc2c(c1C(=O)O)CCCC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
RAB9A P51151 1/20 0.68
MAPK10 P53779 1/20 0.68
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.61
ABCC1 P33527 5/20 0.60
HPGD P15428 2/20 0.60
LMNA P02545 1/20 0.60
KDM4E B2RXH2 4/20 0.59
PTPN1 P18031 3/20 0.58
PTPRC P08575 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPRB P23467 1/20 0.58
PTPRE P23469 1/20 0.58
PTPN6 P29350 1/20 0.58
POLB P06746 1/20 0.57
FLT3 P36888 1/20 0.56

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
SCHEMBL24104916 0.99 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3125764 0.88 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL17816985 0.87 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8288688 0.86 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8288697 0.86 ALDH1A1 (0.86) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3646473 0.86 KDM4E (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL17817432 0.85 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3684643 0.85 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL8288672 0.85 ALDH1A1 (0.93) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3648831 0.84 KDM4E (0.78) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A

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-1492783-A1 4,5,6,7-TRETRAHYDROBENZO(B) THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS Axxima Pharmaceuticals AG (DE) 2005-01-05 EP claimed
WO-2003084947-A1 4,5,6,7-TRETRAHYDROBENZO[B] THIOPHENE DERIVATIVES AND METHODS FOR MEDICAL INTERVENTION AGAINST MYCROBACTERIAL INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2003-10-16 WO claimed