SCHEMBL8970890

SCHEMBL8970890

CCC(C)CCOC1CCCC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.34
PEPD P12955 1/20 0.33
PPP5C P53041 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL8970820 0.97 TAAR1 (0.33) ACEPPP5CTAAR1
SCHEMBL8970357 0.95 TAAR1 (0.32) ACEPPP5CTAAR1
SCHEMBL8970158 0.95 TAAR1 (0.32) ACEPPP5CTAAR1
SCHEMBL8970745 0.80 PPM1B (0.39) ACEPEPDPPP5C
SCHEMBL8969556 0.79 GPR88 (0.36) ACEPEPD
SCHEMBL3185501 0.78 KDM4E (0.36)
SCHEMBL8969248 0.78 GRM2 (0.31)
SCHEMBL8971152 0.78 PPP5C (0.50) PEPDPPP5C
SCHEMBL8970893 0.78 PPP5C (0.50) PEPDPPP5C
SCHEMBL8970205 0.78 GSR (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 EP disclosed