SCHEMBL7902487

SCHEMBL7902487

C=C[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H]3CC[C@H](c4ccc(CCCCCF)cc4)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.45
SPHK2 Q9NRA0 7/20 0.40
SIGMAR1 Q99720 2/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL7902484 1.00 SPHK1 (0.45) SPHK1SPHK2SIGMAR1MEN1TP53
SCHEMBL7902476 1.00 SPHK1 (0.45) SPHK1SPHK2SIGMAR1MEN1TP53
SCHEMBL7902481 1.00 SPHK1 (0.45) SPHK1SPHK2SIGMAR1MEN1TP53
SCHEMBL8853239 0.94 SPHK1 (0.40) SPHK1SPHK2SIGMAR1MEN1TP53
SCHEMBL15043588 0.90 SPHK1 (0.43) SPHK1SPHK2SIGMAR1MEN1TP53
SCHEMBL7912569 0.82 ESR2 (0.38) SPHK1SPHK2CYP3A4
SCHEMBL7912562 0.82 ESR2 (0.38) SPHK1SPHK2CYP3A4
SCHEMBL28979499 0.80 SPHK1 (0.64) SPHK1SPHK2MEN1KMT2A
SCHEMBL28979501 0.80 SPHK1 (0.64) SPHK1SPHK2MEN1KMT2A
SCHEMBL18808093 0.80 SPHK1 (0.35) SPHK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174456-B1 STABILITY, LOW VISCOSITY AND HIGH TRANSITION TEMPERATURE OF THE ISOTROPIC PHASE CHISSO CORPORATION (JP) 2001-01-16 US disclosed
EP-0857708-A1 LIQUID CRYSTAL COMPOUNDS HAVING SUBSTITUTED ALKYL GROUPS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-08-12 EP disclosed