SCHEMBL9515041

SCHEMBL9515041

C=[C]C(C)CCC=C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.44
SQLE Q14534 1/20 0.38
SRC P12931 1/20 0.35
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL14331466 0.77 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL14323435 0.77 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL7789930 0.77 ALOX15 (0.48) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL5043554 0.76 ALOX15 (0.47) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL11448641 0.74 ALOX15 (0.42) ALOX15ALDH1A1TSHRSQLESRC
SCHEMBL618538 0.73
SCHEMBL2859080 0.73
SCHEMBL9832800 0.73
SCHEMBL1372187 0.73
SCHEMBL108373 0.72

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
US-5047312-A Absorption in near infrared, laser light BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US claimed
EP-0358080-B1 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF AG (DE) 1993-12-01 EP disclosed
US-5047312-A Absorption in near infrared, laser light BASF AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
EP-0358080-A2 Silicon naphthalocyanine with unsaturated ligands, and optical recording medium BASF Aktiengesellschaft (DE) 1990-03-14 EP disclosed