SCHEMBL10399284

SCHEMBL10399284

Cc1cc[c]c(C(=O)N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 2/20 0.43
AKR1C3 P42330 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PHGDH O43175 1/20 0.43

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
SCHEMBL10399266 0.86 HPGD (0.51) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28946280 0.82 SIGMAR1 (0.45) HPGDKMT2A
SCHEMBL4157341 0.82 MAPT (0.47) HPGDRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28799060 0.81 HPGD (0.51) HPGDRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL28799044 0.79 KDM1A (0.42) HPGDALDH1A1MEN1KMT2A
SCHEMBL971067 0.76 HPGD (0.51) HPGDHTTALDH1A1SMN1; SMN2MEN1
SCHEMBL4160380 0.76 HSP90AA1 (0.46) HPGDHTTCYP2C9CYP2C19RAB9A
SCHEMBL28799050 0.74 KDM1A (0.44)
SCHEMBL28799042 0.72 KDM1A (0.42) HPGDALDH1A1
SCHEMBL11960910 0.72 RAB9A (0.58) HPGDHTTRAB9ANPC1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4966983-A PRESSURE OR HEAT SENSITIVE ELEMENTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4841050-A Carbazole containing benzopyrans BASF AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0236973-B1 BENZOPYRANES AND THEIR USE IN A RECORDING SYSTEM BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed