SCHEMBL9845749

SCHEMBL9845749

O=C(Cl)C1CC=C(Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TRPA1 O75762 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SCN9A Q15858 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
SCHEMBL4361154 0.83 LMNA (0.41) LMNATSHRTRPA1POLB
SCHEMBL10688271 0.82 LMNA (0.43) LMNATSHRTRPA1POLBALOX15
SCHEMBL9231482 0.82 LMNA (0.47) LMNATSHRTRPA1ALOX15CYP1B1
SCHEMBL16860576 0.79 LMNA (0.41) LMNATSHRTRPA1ALOX15CYP1B1
SCHEMBL2220574 0.78 LMNA (0.58) LMNATSHRTRPA1ALOX15CYP1B1
SCHEMBL2878253 0.78 LMNA (0.58) LMNATSHRTRPA1ALOX15CYP1B1
SCHEMBL9845608 0.78 LMNA (0.36) LMNATSHRTRPA1ALOX15CYP1B1
SCHEMBL937997 0.78 LMNA (0.58) LMNATSHRTRPA1ALOX15CYP1B1
SCHEMBL10684675 0.77 SMN1; SMN2 (0.39) LMNATSHRALDH1A1
SCHEMBL4441405 0.73 TSHR (0.48) TSHRPOLBALOX15ALDH1A1

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
EP-0417690-A2 Aromatization process OCCIDENTAL CHEMICAL CORPORATION (US) 1991-03-20 — — EP claimed
US-4968830-A HALOGENATIVE DEHYDROGENATION OCCIDENTAL CHEMICAL CORPORATION (US) 1990-11-06 — — US claimed
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