SCHEMBL10604649

SCHEMBL10604649

[CH2]C=C(C)C=CC=C(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
PGR P06401 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
SCHEMBL9821666 1.00 TSHR (0.36) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL9821663 1.00 TSHR (0.36) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL4286077 0.77 ALDH1A1 (0.56) TSHRALDH1A1ALOX15RECQLHSD17B10
SCHEMBL4623531 0.77 ALDH1A1 (0.56) TSHRALDH1A1ALOX15RECQLHSD17B10
Allo-Ocimene SCHEMBL1305738 0.77 ALDH1A1 (0.39) TSHRALDH1A1ALOX15RECQLHSD17B10
Allo-Ocimene SCHEMBL5145283 0.77 ALDH1A1 (0.39) TSHRALDH1A1ALOX15RECQLHSD17B10
Allo-Ocimene SCHEMBL58047 0.77 ALDH1A1 (0.39) TSHRALDH1A1ALOX15RECQLHSD17B10
Allo-Ocimene SCHEMBL58046 0.77 ALDH1A1 (0.39) TSHRALDH1A1ALOX15RECQLHSD17B10
Allo-Ocimene SCHEMBL10749071 0.77 ALDH1A1 (0.39) TSHRALDH1A1ALOX15RECQLHSD17B10
Allo-Ocimene SCHEMBL1808169 0.77 ALDH1A1 (0.39) TSHRALDH1A1ALOX15RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138558-B1 PHOSPHOLIPIDS AND THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-07-19 EP disclosed
US-4775758-A Phospholipids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-04 US disclosed
EP-0138558-A2 Phospholipids and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-24 EP disclosed