SCHEMBL18924061

SCHEMBL18924061

CCC(=O)c1ccc(NC(=O)CC(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.67
HPGD P15428 2/20 0.59
LMNA P02545 1/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 4/20 0.58
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 3/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ADORA2A P29274 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
APEX1 P27695 1/20 0.52
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL19656389 0.87 ALDH1A1 (0.50) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL9517500 0.86 ALDH1A1 (0.68) HPGDRAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21765873 0.86 PTPN1 (0.88) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL10201375 0.83 SMN1; SMN2 (0.72) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL25444035 0.81 THRA (0.52) HPGDRAB9AALDH1A1L3MBTL1GAA
SCHEMBL836377 0.81 PTPN1 (0.69) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL3973349 0.81 PTPN1 (0.69) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL27922550 0.80 KMT2A (0.72) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL24438113 0.80 PTPN1 (0.67) PTPN1HPGDLMNARAB9ASMN1; SMN2
SCHEMBL10780544 0.79 ALDH1A1 (0.56) HPGDRAB9ASMN1; SMN2ALDH1A1MAPT

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
WO-2022232195-A2 COVALENT APTAMERS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-11-03 WO disclosed
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed