SCHEMBL8093674

SCHEMBL8093674

CCc1ccc(CC)c(Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
BCL2 P10415 1/20 0.50
BCL2L1 Q07817 1/20 0.50
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.44
CALM1 P0DP23 1/20 0.42
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
DHFR P00374 1/20 0.41
CTRC Q99895 3/20 0.41

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
SCHEMBL10269089 0.87 CSNK2A1 (0.47) TP53BCL2BCL2L1LMNAALOX5
SCHEMBL11089774 0.86 LMNA (0.52) TP53BCL2BCL2L1LMNAALOX5
SCHEMBL9487860 0.85 TRPA1 (0.44) TP53LMNACYP1A2CYP2A6NPC1
SCHEMBL8094436 0.84 LMNA (0.50) TP53BCL2BCL2L1LMNAALOX5
SCHEMBL9066731 0.84 BCL2 (0.50) TP53BCL2BCL2L1ALDH1A1ALOX5
SCHEMBL8086923 0.81 CALM1 (0.55) TP53BCL2BCL2L1LMNAL3MBTL1
SCHEMBL4517872 0.81 MEN1 (0.61) TP53BCL2BCL2L1MAPTALOX5
SCHEMBL10454618 0.81 TP53 (0.46) TP53BCL2BCL2L1LMNACYP1A2
SCHEMBL6548117 0.81 HTR2A (0.56) TP53BCL2BCL2L1LMNAL3MBTL1
SCHEMBL444673 0.80 TRPA1 (0.48) TP53LMNACYP1A2CYP2A6NPC1

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
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed