SCHEMBL14628673

SCHEMBL14628673

CC1CCC(C(C)(C)OC(=O)c2ccccc2C(=O)OC(C)(C)C2CCC(C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 4/20 0.37
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.35
GLA P06280 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL22373529 0.83 CYP2D6 (0.42) ALDH1A1TSHRKMT2A
SCHEMBL22372815 0.78 CYP2D6 (0.39) TSHRKMT2A
SCHEMBL8536684 0.77 KDM4E (0.42) ALDH1A1KDM4ECYP2C9CYP2C19TAS1R3
SCHEMBL8536680 0.77 KDM4E (0.42) ALDH1A1KDM4ECYP2C9CYP2C19TAS1R3
SCHEMBL22373121 0.77 PARP1 (0.41) KMT2A
SCHEMBL22373064 0.75 RXFP1 (0.44) ALDH1A1TSHRHPGDKMT2A
SCHEMBL22373123 0.75 HTR2C (0.40) ALDH1A1RAB9ANPC1KMT2A
SCHEMBL22373190 0.75 LMNA (0.45) ALDH1A1KDM4ECYP2C9CYP2C19TSHR
SCHEMBL22373463 0.75 ELANE (0.41) ALDH1A1CYP2C9CYP2C19TSHRGAA
SCHEMBL22277402 0.74 PTPN2 (0.43) KMT2A

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
EP-1024402-B1 Silver halide photographic light-sensitive material and image forming method FUJI PHOTO FILM CO LTD (JP) 2007-01-24 EP disclosed