SCHEMBL8735110

SCHEMBL8735110

CCC[C@H]1CC[C@H](CCCCC2CCC(c3cc(F)c(-c4ccc(C(F)(F)F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.38
HTR2C P28335 2/20 0.38
LSS P48449 6/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
GAA P10253 1/20 0.34
P2RY14 Q15391 1/20 0.33

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
SCHEMBL8735116 1.00 MAPT (0.39) MAPTALDH1A1LMNACYP2C9HTR2C
SCHEMBL8735112 1.00 MAPT (0.39) MAPTALDH1A1LMNACYP2C9HTR2C
SCHEMBL18385887 0.91 HTR2C (0.36) MAPTALDH1A1LMNACYP2C9HTR2C
SCHEMBL6457327 0.86 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP2C9HTR2C
SCHEMBL6457320 0.86 ALDH1A1 (0.34) MAPTALDH1A1LMNACYP2C9HTR2C
SCHEMBL8048330 0.86 SLC6A2 (0.38) HTR2CIDO1DGAT1SOAT1
SCHEMBL6457872 0.86 GAA (0.34) MAPTHTR2CLSSMEN1KMT2A
SCHEMBL6457875 0.86 GAA (0.34) MAPTHTR2CLSSMEN1KMT2A
SCHEMBL6454054 0.85 GAA (0.36) MAPTLSSMEN1KMT2AGAA
SCHEMBL6461154 0.85 GAA (0.36) MAPTLSSMEN1KMT2AGAA

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-0846670-A1 CYCLOHEXANE DERIVATIVES AND LIQUID-CRYSTAL COMPOSITIONS CHISSO CORPORATION (JP) 1998-06-10 EP disclosed