SCHEMBL18154015

SCHEMBL18154015

Clc1cc(Cl)cc([C@@H]2CC2(Cl)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
SLC9A1 P19634 2/20 0.36
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
PPARA Q07869 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL18154022 0.81 TSHR (0.36) TSHRSLC9A1KDM1ARCOR1
SCHEMBL21078986 0.80 KDM1A (0.30) KDM1A
SCHEMBL31646898 0.79 TPMT (0.53) TSHRSLC9A1LMNACYP2C9BLM
SCHEMBL21021884 0.78 ALDH1A1 (0.38) TSHRLMNACYP2C9BLMPPARA
SCHEMBL20076755 0.78 ALDH1A1 (0.38) TSHRLMNACYP2C9BLMPPARA
SCHEMBL4332448 0.78 KDM1A (0.56) SLC9A1KDM1ARCOR1LMNATP53
SCHEMBL23961558 0.78 KDM1A (0.35) SLC9A1KDM1ARCOR1
SCHEMBL21079049 0.75 LMNA (0.30) TSHRLMNACYP2C9BLMPPARA
SCHEMBL31646839 0.72 LMNA (0.42) TSHRSLC9A1LMNACYP2C9BLM
SCHEMBL20076640 0.71 LMNA (0.31) TSHRKDM1ARCOR1LMNACYP2C9

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-3283459-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-02-21 EP disclosed
WO-2016168059-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-10-20 WO disclosed