SCHEMBL28024949

SCHEMBL28024949

O=C(O)C1CCC(Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NOTUM Q6P988 3/20 0.44
AKR1C3 P42330 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GRIK1 P39086 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
TSHR P16473 1/20 0.38
VCP P55072 1/20 0.38
PDPK1 O15530 1/20 0.37

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
SCHEMBL2657671 0.83 CRBN (0.47) MAPTCYP2C9CYP2C19HSD17B10DDB1
SCHEMBL15347584 0.81 SMN1; SMN2 (0.47) MAPTHPGDALDH1A1ALOX15LMNA
SCHEMBL15152744 0.81 SMN1; SMN2 (0.47) MAPTHPGDALDH1A1ALOX15LMNA
SCHEMBL5273038 0.77 MAPT (0.45) MAPTAKR1C3CYP2C9CYP2C19HPGD
SCHEMBL29695938 0.74 MAOA (0.58) MAPTCYP2C9CYP2C19DDB1CRBN
SCHEMBL7479814 0.73 ATF4 (0.40) MAPTNOTUMDDB1CRBNHPGD
SCHEMBL918204 0.73 NPC1 (0.66) MAPTNOTUMAKR1C3CYP2C9HPGD
SCHEMBL894800 0.73 MGLL (0.60) MAPTLMNAKMT2AMEN1
SCHEMBL894802 0.73 MGLL (0.60) MAPTLMNAKMT2AMEN1
SCHEMBL637532 0.73 NPC1 (0.66) MAPTNOTUMAKR1C3CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103108866-B cyclohexane derivative compound DAIICHI SANKYO Co.,Ltd. (JP) 2015-09-09 CN disclosed